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

Systemtic Name: N-(3-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: N-(3-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: N-(3-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=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)NC3=CC(=CC=C3)Cl

InChI

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