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

Systemtic Name: 2-[[4-(4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H8N4O2S MolecularWeight: 260.27182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C=NN=C2SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C11H8N4O2S/c12-5-8-1-3-9(4-2-8)15-7-13-14-11(15)18-6-10(16)17/h1-4,7H,6H2,(H,16,17)