2-[[4-methyl-5-(phenylazanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-5-(phenylazanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(anilinomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(anilinomethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(anilinomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(anilinomethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CNC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CNC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-16-10(7-13-9-5-3-2-4-6-9)14-15-12(16)19-8-11(17)18/h2-6,13H,7-8H2,1H3,(H,17,18)