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

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)-3-methyl-pyridin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)-3-methyl-4-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-N-[2-(hydroxymethyl)-3-methyl-4-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(hydroxymethyl)-3-methylpyridin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-N-(3-methyl-2-methylol-4-pyridyl)nicotinamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CO)NC(=O)C2=C(N=CC=C2)SCC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CN=C1CO)NC(=O)C2=C(N=CC=C2)SCC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H23N3O4S/c1-14-18(8-10-23-19(14)12-26)25-21(27)17-5-4-9-24-22(17)30-13-15-6-7-16(28-2)11-20(15)29-3/h4-11,26H,12-13H2,1-3H3,(H,23,25,27)