2-[(4-azanyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(4-azanyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-N-phenyl-acetamide Formula: C16H16N5OS+ MolecularWeight: 326.39614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H15N5OS/c17-21-15(12-7-3-1-4-8-12)19-20-16(21)23-11-14(22)18-13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22)/p+1