N-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(3,4-dimethoxyphenyl)nicotinamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O3S/c1-25-18-11-10-16(13-19(18)26-2)23-20(24)17-9-6-12-22-21(17)27-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,23,24)