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

Systemtic Name: 5-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[2-(2,3-dimethylanilino)-2-keto-ethyl]thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSCC2=NC(=NN2)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSCC2=NC(=NN2)[O-])C

InChI

InChI=1S/C13H16N4O2S/c1-8-4-3-5-10(9(8)2)14-12(18)7-20-6-11-15-13(19)17-16-11/h3-5H,6-7H2,1-2H3,(H,14,18)(H2,15,16,17,19)/p-1