5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-[4-(methylthio)phenyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-(3-cyanopropyl)-N-[4-(methylthio)phenyl]-2-pyrazoline-1-carboxamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)CCCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)CCCC#N

InChI

InChI=1S/C21H21ClN4OS/c1-28-19-11-9-18(10-12-19)24-21(27)26-14-16(4-2-3-13-23)20(25-26)15-5-7-17(22)8-6-15/h5-12,16H,2-4,14H2,1H3,(H,24,27)