3-[[5-[[3-[3,5-bis[3-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]phenyl]phenyl]methylsulfanyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-[[3-[3,5-bis[3-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]phenyl]phenyl]methylsulfanyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-[[3-[3,5-bis[3-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]phenyl]phenyl]methylsulfanyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-[[3-[3,5-bis[3-[[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylthio)-1,3-dithiol-4-yl]thio]methyl]phenyl]phenyl]phenyl]methylthio]-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]propanenitrile IUPAC Name: 3-[[5-[[3-[3,5-bis[3-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]phenyl]phenyl]methylsulfanyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-[[3-[3,5-bis[3-[[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylthio)-1,3-dithiol-4-yl]thio]methyl]phenyl]phenyl]benzyl]thio]-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]propionitrile Formula: C60H51N3S24 MolecularWeight: 1583.62704

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC(=C2SC(=C(S2)SCC3=CC=CC(=C3)C4=CC(=CC(=C4)C5=CC(=CC=C5)CSC6=C(SC(=C7SC(=C(S7)SC)SC)S6)SCCC#N)C8=CC(=CC=C8)CSC9=C(SC(=C2SC(=C(S2)SC)SC)S9)SCCC#N)SCCC#N)S1)SC

Isomeric SMILES

CSC1=C(SC(=C2SC(=C(S2)SCC3=CC=CC(=C3)C4=CC(=CC(=C4)C5=CC(=CC=C5)CSC6=C(SC(=C7SC(=C(S7)SC)SC)S6)SCCC#N)C8=CC(=CC=C8)CSC9=C(SC(=C2SC(=C(S2)SC)SC)S9)SCCC#N)SCCC#N)S1)SC

InChI

InChI=1S/C60H51N3S24/c1-64-43-44(65-2)77-55(76-43)58-82-49(70-22-10-19-61)52(85-58)73-31-34-13-7-16-37(25-34)40-28-41(38-17-8-14-35(26-38)32-74-53-50(71-23-11-20-62)83-59(86-53)56-78-45(66-3)46(67-4)79-56)30-42(29-40)39-18-9-15-36(27-39)33-75-54-51(72-24-12-21-63)84-60(87-54)57-80-47(68-5)48(69-6)81-57/h7-9,13-18,25-30H,10-12,22-24,31-33H2,1-6H3