2-(4-methylphenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(p-tolylsulfanyl)-N-[2-(2-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[2-(2-pyridinylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-(p-tolylthio)-N-[2-(2-pyridylmethyl)pyrazol-3-yl]nicotinamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CC=N4

InChI

InChI=1S/C22H19N5OS/c1-16-7-9-18(10-8-16)29-22-19(6-4-13-24-22)21(28)26-20-11-14-25-27(20)15-17-5-2-3-12-23-17/h2-14H,15H2,1H3,(H,26,28)