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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C5H7N3O2S MolecularWeight: 173.19298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)