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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C24H21N5OS MolecularWeight: 427.52144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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