N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-[2-(2-chlorobenzyl)pyrazol-3-yl]-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=NN2CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=NN2CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H22ClN3OS/c1-15-7-8-18(13-16(15)2)27-12-10-21(26)24-20-9-11-23-25(20)14-17-5-3-4-6-19(17)22/h3-9,11,13H,10,12,14H2,1-2H3,(H,24,26)