N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H20N4OS/c1-15-21(16(2)25(24-15)19-6-4-3-5-7-19)27-14-20(26)23-18-10-8-17(9-11-18)12-13-22/h3-11H,12,14H2,1-2H3,(H,23,26)