1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(4-methoxy-3-nitro-benzyl)thio]ethanone Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(=CC2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(=CC2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4S/c1-30-22-7-6-16(12-21(22)26(28)29)14-31-15-23(27)25-10-8-17(9-11-25)19-13-24-20-5-3-2-4-18(19)20/h2-8,12-13,24H,9-11,14-15H2,1H3