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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC(=O)[O-]

InChI

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