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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)O

InChI

InChI=1S/C6H9N3O2S/c1-4-7-8-6(9(4)2)12-3-5(10)11/h3H2,1-2H3,(H,10,11)