1-[1-(4-methoxyphenyl)-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indol-3-yl]ethanone

Systemtic Name: 1-[1-(4-methoxyphenyl)-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indol-3-yl]ethanone Openeye Name: 1-[2-(benzylsulfanylmethyl)-5-hydroxy-1-(4-methoxyphenyl)indol-3-yl]ethanone CAS Name: 1-[5-hydroxy-1-(4-methoxyphenyl)-2-[(phenylmethylthio)methyl]-3-indolyl]ethanone IUPAC Name: 1-[2-(benzylsulfanylmethyl)-5-hydroxy-1-(4-methoxyphenyl)indol-3-yl]ethanone Traditional Name: 1-[2-[(benzylthio)methyl]-5-hydroxy-1-(4-methoxyphenyl)indol-3-yl]ethanone Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC)CSCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S/c1-17(27)25-22-14-20(28)10-13-23(22)26(19-8-11-21(29-2)12-9-19)24(25)16-30-15-18-6-4-3-5-7-18/h3-14,28H,15-16H2,1-2H3