N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(2,5-dimethoxyphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-2-[(2,5-dimethoxyphenyl)thio]nicotinamide Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-26-15-9-10-18(27-2)19(12-15)28-21-16(7-5-11-23-21)20(25)24-13-14-6-3-4-8-17(14)22/h3-12H,13H2,1-2H3,(H,24,25)