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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C10H9N3O2S/c14-9(15)6-16-10-12-11-7-13(10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)