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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide Formula: C12H12N7OS+ MolecularWeight: 302.33498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NN3C=NN=C3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NN3C=NN=C3

InChI

InChI=1S/C12H11N7OS/c20-11(17-18-8-14-15-9-18)6-21-12-13-7-16-19(12)10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,17,20)/p+1