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

Systemtic Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H10N4O2S/c1-16-11(9-4-2-3-8(5-9)6-13)14-15-12(16)19-7-10(17)18/h2-5H,7H2,1H3,(H,17,18)