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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=CC=CC=C4C(=C3)C

InChI

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