2-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(1H-pyrazol-4-yl)propanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(1H-pyrazol-4-yl)propionamide Formula: C12H12ClN3OS MolecularWeight: 281.76118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CNN=C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CNN=C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3OS/c1-8(12(17)16-10-6-14-15-7-10)18-11-4-2-9(13)3-5-11/h2-8H,1H3,(H,14,15)(H,16,17)