5-tert-butylsulfanyl-3-chloranyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-tert-butylsulfanyl-3-chloranyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-tert-butylsulfanyl-3-chloro-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-(tert-butylthio)-3-chloro-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-tert-butylsulfanyl-3-chloro-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(tert-butylthio)-3-chloro-1-methyl-pyrazole-4-carboxylic acid Formula: C9H13ClN2O2S MolecularWeight: 248.72972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C(=NN1C)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(C(=NN1C)Cl)C(=O)O

InChI

InChI=1S/C9H13ClN2O2S/c1-9(2,3)15-7-5(8(13)14)6(10)11-12(7)4/h1-4H3,(H,13,14)