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

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-(4-pyridylmethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide CAS Name: 2-(pyridin-4-ylmethylthio)-N-(3,4,5-trimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-(4-pyridylmethylthio)-N-(3,4,5-trimethoxyphenyl)nicotinamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-26-17-11-15(12-18(27-2)19(17)28-3)24-20(25)16-5-4-8-23-21(16)29-13-14-6-9-22-10-7-14/h4-12H,13H2,1-3H3,(H,24,25)