N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H17N5OS/c1-15-11-21(25-19-10-6-5-9-18(15)19)29-14-20(28)26-22-16(12-23)13-24-27(22)17-7-3-2-4-8-17/h2-11,13H,14H2,1H3,(H,26,28)