2-tert-butyl-4-methylsulfanyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-tert-butyl-4-methylsulfanyl-pyrazole-3-carboxylic acid Openeye Name: 2-tert-butyl-4-methylsulfanyl-pyrazole-3-carboxylic acid CAS Name: 2-tert-butyl-4-(methylthio)-3-pyrazolecarboxylic acid IUPAC Name: 2-tert-butyl-4-methylsulfanylpyrazole-3-carboxylic acid Traditional Name: 2-tert-butyl-4-(methylthio)pyrazole-3-carboxylic acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)SC)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)SC)C(=O)O

InChI

InChI=1S/C9H14N2O2S/c1-9(2,3)11-7(8(12)13)6(14-4)5-10-11/h5H,1-4H3,(H,12,13)