N-(2-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-(p-tolylthio)nicotinamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C21H22N4OS/c1-15-8-10-17(11-9-15)27-21-18(7-4-13-22-21)20(26)24-19-12-14-23-25(19)16-5-2-3-6-16/h4,7-14,16H,2-3,5-6H2,1H3,(H,24,26)