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

Systemtic Name: 2-[[4-(4-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11N4O2S- MolecularWeight: 287.31704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C13H12N4O2S/c1-2-11-15-16-13(20-8-12(18)19)17(11)10-5-3-9(7-14)4-6-10/h3-6H,2,8H2,1H3,(H,18,19)/p-1