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

Systemtic Name: 2-[[5-(cyanomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(cyanomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(cyanomethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(cyanomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(cyanomethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C7H8N4O2S MolecularWeight: 212.22902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CC#N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CC#N

InChI

InChI=1S/C7H8N4O2S/c1-11-5(2-3-8)9-10-7(11)14-4-6(12)13/h2,4H2,1H3,(H,12,13)