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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(p-tolylsulfanyl)-N-[2-(4-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[2-(pyridin-4-ylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-(p-tolylthio)-N-[2-(4-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=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=NC=C4

InChI

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