2-tert-butyl-4-propan-2-ylsulfanyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-tert-butyl-4-propan-2-ylsulfanyl-pyrazole-3-carboxylic acid Openeye Name: 2-tert-butyl-4-isopropylsulfanyl-pyrazole-3-carboxylic acid CAS Name: 2-tert-butyl-4-(propan-2-ylthio)-3-pyrazolecarboxylic acid IUPAC Name: 2-tert-butyl-4-propan-2-ylsulfanylpyrazole-3-carboxylic acid Traditional Name: 2-tert-butyl-4-(isopropylthio)pyrazole-3-carboxylic acid Formula: C11H18N2O2S MolecularWeight: 242.33782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N(N=C1)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)SC1=C(N(N=C1)C(C)(C)C)C(=O)O

InChI

InChI=1S/C11H18N2O2S/c1-7(2)16-8-6-12-13(11(3,4)5)9(8)10(14)15/h6-7H,1-5H3,(H,14,15)