N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19N5OS/c1-15-7-6-10-19-16(2)11-21(27-22(15)19)30-14-20(29)26-23-17(12-24)13-25-28(23)18-8-4-3-5-9-18/h3-11,13H,14H2,1-2H3,(H,26,29)