3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)propionamide Formula: C11H12ClN5OS MolecularWeight: 297.76388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCSC2=NNC(=N2)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCSC2=NNC(=N2)N)Cl

InChI

InChI=1S/C11H12ClN5OS/c12-7-3-1-2-4-8(7)14-9(18)5-6-19-11-15-10(13)16-17-11/h1-4H,5-6H2,(H,14,18)(H3,13,15,16,17)