1-methyl-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanyl-buta-1,3-dienyl]indole

Systemtic Name: 1-methyl-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanyl-buta-1,3-dienyl]indole Openeye Name: 1-methyl-3-[(1E,3E)-4-methylsulfanyl-2-(p-tolylsulfonyl)buta-1,3-dienyl]indole CAS Name: 1-methyl-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-(methylthio)buta-1,3-dienyl]indole IUPAC Name: 1-methyl-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanylbuta-1,3-dienyl]indole Traditional Name: 1-methyl-3-[(1E,3E)-4-(methylthio)-2-tosyl-buta-1,3-dienyl]indole Formula: C21H21NO2S2 MolecularWeight: 383.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(C3=CC=CC=C32)C)C=CSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(C3=CC=CC=C32)C)/C=C/SC

InChI

InChI=1S/C21H21NO2S2/c1-16-8-10-18(11-9-16)26(23,24)19(12-13-25-3)14-17-15-22(2)21-7-5-4-6-20(17)21/h4-15H,1-3H3/b13-12+,19-14+