4-methyl-5-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-methyl-5-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-anilino-2-oxo-ethyl)sulfanylmethyl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2-anilino-2-oxoethyl)thio]methyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-anilino-2-oxoethyl)sulfanylmethyl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(2-anilino-2-keto-ethyl)thio]methyl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C12H13N4OS2- MolecularWeight: 293.38782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1[S-])CSCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1[S-])CSCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS2/c1-16-10(14-15-12(16)18)7-19-8-11(17)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,17)(H,15,18)/p-1