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

Systemtic Name: N-(2-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: N-(2-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propionamide Formula: C17H16ClN4OS+ MolecularWeight: 359.85314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C17H15ClN4OS/c18-14-8-4-5-9-15(14)21-16(23)10-11-24-17-19-12-20-22(17)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,23)/p+1