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

Systemtic Name: N-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-oxo-1H-1,2,4-triazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(5-oxo-1H-1,2,4-triazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(5-oxo-1H-1,2,4-triazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(5-keto-1H-1,2,4-triazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C12H12N7O2S+ MolecularWeight: 318.33438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NN3C=NNC3=O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NN3C=NNC3=O

InChI

InChI=1S/C12H11N7O2S/c20-10(17-18-8-14-16-11(18)21)6-22-12-13-7-15-19(12)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,16,17,20,21)/p+1