5-[[2-[bis(methylsulfanyl)methylidene]-1-oxidanyl-cyclohexyl]methyl]-3-methyl-pyrazole-1-carboxylic acid

Systemtic Name: 5-[[2-[bis(methylsulfanyl)methylidene]-1-oxidanyl-cyclohexyl]methyl]-3-methyl-pyrazole-1-carboxylic acid Openeye Name: 5-[[2-[bis(methylsulfanyl)methylene]-1-hydroxy-cyclohexyl]methyl]-3-methyl-pyrazole-1-carboxylic acid CAS Name: 5-[[2-[bis(methylthio)methylidene]-1-hydroxycyclohexyl]methyl]-3-methyl-1-pyrazolecarboxylic acid IUPAC Name: 5-[[2-[bis(methylsulfanyl)methylidene]-1-hydroxycyclohexyl]methyl]-3-methylpyrazole-1-carboxylic acid Traditional Name: 5-[[2-[bis(methylthio)methylene]-1-hydroxy-cyclohexyl]methyl]-3-methyl-pyrazole-1-carboxylic acid Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CC2(CCCCC2=C(SC)SC)O)C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)CC2(CCCCC2=C(SC)SC)O)C(=O)O

InChI

InChI=1S/C15H22N2O3S2/c1-10-8-11(17(16-10)14(18)19)9-15(20)7-5-4-6-12(15)13(21-2)22-3/h8,20H,4-7,9H2,1-3H3,(H,18,19)