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

Systemtic Name: 2-(5-oxidanylidene-2-phenyl-1H-1,2,4-triazol-3-yl)-2-sulfanyl-ethanoic acid Openeye Name: 2-(5-oxo-2-phenyl-1H-1,2,4-triazol-3-yl)-2-sulfanyl-acetic acid CAS Name: 2-mercapto-2-(5-oxo-2-phenyl-1H-1,2,4-triazol-3-yl)acetic acid IUPAC Name: 2-(5-oxo-2-phenyl-1H-1,2,4-triazol-3-yl)-2-sulfanylacetic acid Traditional Name: 2-(5-keto-2-phenyl-1H-1,2,4-triazol-3-yl)-2-mercapto-acetic acid Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=O)N2)C(C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=O)N2)C(C(=O)O)S

InChI

InChI=1S/C10H9N3O3S/c14-9(15)7(17)8-11-10(16)12-13(8)6-4-2-1-3-5-6/h1-5,7,17H,(H,12,16)(H,14,15)