2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[2-(4-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)thio]-N-(2-pyridin-4-ylethyl)-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethoxyphenyl)thio]-N-[2-(4-pyridyl)ethyl]nicotinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C21H21N3O3S/c1-26-16-5-6-18(27-2)19(14-16)28-21-17(4-3-10-24-21)20(25)23-13-9-15-7-11-22-12-8-15/h3-8,10-12,14H,9,13H2,1-2H3,(H,23,25)