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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC(=O)O)SC

Isomeric SMILES

CC1=NN=C(N1CC(=O)O)SC

InChI

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