3-[[2,5-bis(methylsulfanyl)-2-(10-oxidanylidene-9H-anthracen-9-yl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[2,5-bis(methylsulfanyl)-2-(10-oxidanylidene-9H-anthracen-9-yl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile Openeye Name: 3-[[2,5-bis(methylsulfanyl)-2-(10-oxo-9H-anthracen-9-yl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile CAS Name: 3-[[2,5-bis(methylthio)-2-(10-oxo-9H-anthracen-9-yl)-1,3-dithiol-4-yl]thio]propanenitrile IUPAC Name: 3-[[2,5-bis(methylsulfanyl)-2-(10-oxo-9H-anthracen-9-yl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile Traditional Name: 3-[[2-(10-keto-9H-anthracen-9-yl)-2,5-bis(methylthio)-1,3-dithiol-4-yl]thio]propionitrile Formula: C22H19NOS5 MolecularWeight: 473.71736

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC(S1)(C2C3=CC=CC=C3C(=O)C4=CC=CC=C24)SC)SCCC#N

Isomeric SMILES

CSC1=C(SC(S1)(C2C3=CC=CC=C3C(=O)C4=CC=CC=C24)SC)SCCC#N

InChI

InChI=1S/C22H19NOS5/c1-25-20-21(27-13-7-12-23)29-22(26-2,28-20)18-14-8-3-5-10-16(14)19(24)17-11-6-4-9-15(17)18/h3-6,8-11,18H,7,13H2,1-2H3