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

Systemtic Name: 2-[[4-(3-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-cyanophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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