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

Systemtic Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H9N4O2S- MolecularWeight: 273.29046

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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)/p-1