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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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