3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid

Systemtic Name: 3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid Openeye Name: 3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid CAS Name: 3-phenyl-3-(1H-1,2,4-triazol-5-ylthio)propanoic acid IUPAC Name: 3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid Traditional Name: 3-phenyl-3-(1H-1,2,4-triazol-5-ylthio)propionic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=NC=NN2

InChI

InChI=1S/C11H11N3O2S/c15-10(16)6-9(8-4-2-1-3-5-8)17-11-12-7-13-14-11/h1-5,7,9H,6H2,(H,15,16)(H,12,13,14)