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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanyl-buta-1,3-dienyl]indole Openeye Name: 1-(4-methoxyphenyl)-3-[(1E,3E)-4-methylsulfanyl-2-(p-tolylsulfonyl)buta-1,3-dienyl]indole CAS Name: 1-(4-methoxyphenyl)-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-(methylthio)buta-1,3-dienyl]indole IUPAC Name: 1-(4-methoxyphenyl)-3-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanylbuta-1,3-dienyl]indole Traditional Name: 1-(4-methoxyphenyl)-3-[(1E,3E)-4-(methylthio)-2-tosyl-buta-1,3-dienyl]indole Formula: C27H25NO3S2 MolecularWeight: 475.6223

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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)C4=CC=C(C=C4)OC)C=CSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(C3=CC=CC=C32)C4=CC=C(C=C4)OC)/C=C/SC

InChI

InChI=1S/C27H25NO3S2/c1-20-8-14-24(15-9-20)33(29,30)25(16-17-32-3)18-21-19-28(27-7-5-4-6-26(21)27)22-10-12-23(31-2)13-11-22/h4-19H,1-3H3/b17-16+,25-18+