2-(5-methyl-3-methylsulfanyl-1,2,4-triazol-1-yl)ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)O)SC

Isomeric SMILES

CC1=NC(=NN1CC(=O)O)SC

InChI

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