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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O

InChI

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