2-(phenylmethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide CAS Name: 2-(phenylmethylthio)-N-(3,4,5-trimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(3,4,5-trimethoxyphenyl)nicotinamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-26-18-12-16(13-19(27-2)20(18)28-3)24-21(25)17-10-7-11-23-22(17)29-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3,(H,24,25)