2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)pyridin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)pyridin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)-4-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-N-[2-(hydroxymethyl)-4-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)pyridin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-N-(2-methylol-4-pyridyl)nicotinamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=NC=C3)CO)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=NC=C3)CO)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-17-6-5-14(19(11-17)28-2)13-29-21-18(4-3-8-23-21)20(26)24-15-7-9-22-16(10-15)12-25/h3-11,25H,12-13H2,1-2H3,(H,22,24,26)