5-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[2-(3-methoxyanilino)-2-oxoethyl]thio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[2-(3-methoxyanilino)-2-oxoethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[2-keto-2-(m-anisidino)ethyl]thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C12H13N4O3S- MolecularWeight: 293.32162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSCC2=NC(=NN2)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSCC2=NC(=NN2)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-19-9-4-2-3-8(5-9)13-11(17)7-20-6-10-14-12(18)16-15-10/h2-5H,6-7H2,1H3,(H,13,17)(H2,14,15,16,18)/p-1