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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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