4-methyl-2-phenylsulfanyl-6,7-bis[(4-phenylsulfanylphenyl)sulfanyl]quinoline-5,8-dione

Systemtic Name: 4-methyl-2-phenylsulfanyl-6,7-bis[(4-phenylsulfanylphenyl)sulfanyl]quinoline-5,8-dione Openeye Name: 4-methyl-2-phenylsulfanyl-6,7-bis[(4-phenylsulfanylphenyl)sulfanyl]quinoline-5,8-dione CAS Name: 4-methyl-2-(phenylthio)-6,7-bis[[4-(phenylthio)phenyl]thio]quinoline-5,8-dione IUPAC Name: 4-methyl-2-phenylsulfanyl-6,7-bis[(4-phenylsulfanylphenyl)sulfanyl]quinoline-5,8-dione Traditional Name: 4-methyl-2-(phenylthio)-6,7-bis[[4-(phenylthio)phenyl]thio]quinoline-5,8-quinone Formula: C40H27NO2S5 MolecularWeight: 713.97288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)C(=C(C2=O)SC3=CC=C(C=C3)SC4=CC=CC=C4)SC5=CC=C(C=C5)SC6=CC=CC=C6)SC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)C(=C(C2=O)SC3=CC=C(C=C3)SC4=CC=CC=C4)SC5=CC=C(C=C5)SC6=CC=CC=C6)SC7=CC=CC=C7

InChI

InChI=1S/C40H27NO2S5/c1-26-25-34(46-29-15-9-4-10-16-29)41-36-35(26)37(42)39(47-32-21-17-30(18-22-32)44-27-11-5-2-6-12-27)40(38(36)43)48-33-23-19-31(20-24-33)45-28-13-7-3-8-14-28/h2-25H,1H3