5-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(4,4-difluorobut-3-enylsulfanyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-(4,4-difluorobut-3-enylthio)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(4,4-difluorobut-3-enylsulfanyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4,4-difluorobut-3-enylthio)-1-methyl-pyrazole-4-carboxylic acid Formula: C9H10F2N2O2S MolecularWeight: 248.249706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)SCCC=C(F)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)SCCC=C(F)F

InChI

InChI=1S/C9H10F2N2O2S/c1-13-8(6(5-12-13)9(14)15)16-4-2-3-7(10)11/h3,5H,2,4H2,1H3,(H,14,15)