3-methyl-1-(4-methylphenyl)sulfonyl-4-(phenylmethylsulfanyl)indole-6,7-dione

Systemtic Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-(phenylmethylsulfanyl)indole-6,7-dione Openeye Name: 4-benzylsulfanyl-3-methyl-1-(p-tolylsulfonyl)indole-6,7-dione CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-(phenylmethylthio)indole-6,7-dione IUPAC Name: 4-benzylsulfanyl-3-methyl-1-(4-methylphenyl)sulfonylindole-6,7-dione Traditional Name: 4-(benzylthio)-3-methyl-1-tosyl-indole-6,7-quinone Formula: C23H19NO4S2 MolecularWeight: 437.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=O)C(=O)C=C3SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=O)C(=O)C=C3SCC4=CC=CC=C4)C

InChI

InChI=1S/C23H19NO4S2/c1-15-8-10-18(11-9-15)30(27,28)24-13-16(2)21-20(12-19(25)23(26)22(21)24)29-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3