N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)C)C

InChI

InChI=1S/C24H21N5OS/c1-15-9-17(3)23-20(10-15)16(2)11-22(28-23)31-14-21(30)27-24-18(12-25)13-26-29(24)19-7-5-4-6-8-19/h4-11,13H,14H2,1-3H3,(H,27,30)