5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide Openeye Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)-6-phenacylsulfanyl-pyridine-3-carboxamide CAS Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-6-(phenacylthio)-3-pyridinecarboxamide IUPAC Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanylpyridine-3-carboxamide Traditional Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)-6-(phenacylthio)nicotinamide Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C31H27N3O4S/c1-19-10-8-9-13-24(19)34-30(36)28-20(2)33-31(39-18-25(35)21-11-6-5-7-12-21)23(17-32)29(28)22-14-15-26(37-3)27(16-22)38-4/h5-16H,18H2,1-4H3,(H,34,36)