N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-methyl-propanamide

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-methyl-propanamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-methyl-propanamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-2-methylpropanamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-methylpropanamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-2-methyl-propionamide Formula: C15H15ClN4OS MolecularWeight: 334.8238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CC(C)C(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C15H15ClN4OS/c1-9(2)14(21)18-13-11(7-17)15(20-19-13)22-8-10-5-3-4-6-12(10)16/h3-6,9H,8H2,1-2H3,(H2,18,19,20,21)