3-[1-(2-chlorophenyl)ethylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[1-(2-chlorophenyl)ethylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[1-(2-chlorophenyl)ethylthio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC(C)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC(C)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-15-21(22(28)26(25(15)3)17-9-5-4-6-10-17)24-20(27)13-14-29-16(2)18-11-7-8-12-19(18)23/h4-12,16H,13-14H2,1-3H3,(H,24,27)