(E)-N-(2-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate

Systemtic Name: (E)-N-(2-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate Openeye Name: (E)-N-(2-methyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate CAS Name: (E)-N-(2-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate IUPAC Name: (E)-N-(2-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate Traditional Name: (E)-N-(2-methyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate Formula: C10H10N4OS MolecularWeight: 234.2776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=S)N1)N=C(C2=CC=CC=C2)[O-]

Isomeric SMILES

CN1C=[N+](C(=S)N1)/N=C(\C2=CC=CC=C2)/[O-]

InChI

InChI=1S/C10H10N4OS/c1-13-7-14(10(16)12-13)11-9(15)8-5-3-2-4-6-8/h2-7H,1H3,(H-,11,12,15,16)