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

Systemtic Name: 5-(4-chlorophenyl)-4-heptyl-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-heptyl-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-heptyl-N-[4-(methylthio)phenyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-heptyl-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-heptyl-N-[4-(methylthio)phenyl]-2-pyrazoline-1-carboxamide Formula: C24H30ClN3OS MolecularWeight: 444.0325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H30ClN3OS/c1-3-4-5-6-7-8-19-17-28(27-23(19)18-9-11-20(25)12-10-18)24(29)26-21-13-15-22(30-2)16-14-21/h9-16,19H,3-8,17H2,1-2H3,(H,26,29)