2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetic acid CAS Name: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid IUPAC Name: 2-[4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid Traditional Name: 2-[4-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetic acid Formula: C15H12N4O2S MolecularWeight: 312.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C15H12N4O2S/c20-13(21)9-10-1-3-12(4-2-10)19-14(17-18-15(19)22)11-5-7-16-8-6-11/h1-8H,9H2,(H,18,22)(H,20,21)