N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C(=NN1C2=CC=CC=C2)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C(=NN1C2=CC=CC=C2)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C22H21ClN4OS/c1-22(2,3)21(28)25-19-17(13-24)20(26-27(19)16-10-5-4-6-11-16)29-14-15-9-7-8-12-18(15)23/h4-12H,14H2,1-3H3,(H,25,28)