2-(5,5-dimethyl-3-methylsulfanyl-1H-1,2,4-triazol-2-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(5,5-dimethyl-3-methylsulfanyl-1H-1,2,4-triazol-2-yl)-2-methyl-propanoic acid Openeye Name: 2-(5,5-dimethyl-3-methylsulfanyl-1H-1,2,4-triazol-2-yl)-2-methyl-propanoic acid CAS Name: 2-[5,5-dimethyl-3-(methylthio)-1H-1,2,4-triazol-2-yl]-2-methylpropanoic acid IUPAC Name: 2-(5,5-dimethyl-3-methylsulfanyl-1H-1,2,4-triazol-2-yl)-2-methylpropanoic acid Traditional Name: 2-[5,5-dimethyl-3-(methylthio)-1H-1,2,4-triazol-2-yl]-2-methyl-propionic acid Formula: C9H17N3O2S MolecularWeight: 231.31518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NN(C(=N1)SC)C(C)(C)C(=O)O)C

Isomeric SMILES

CC1(NN(C(=N1)SC)C(C)(C)C(=O)O)C

InChI

InChI=1S/C9H17N3O2S/c1-8(2,6(13)14)12-7(15-5)10-9(3,4)11-12/h11H,1-5H3,(H,13,14)