2-tert-butyl-4-cyclohexylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: 2-tert-butyl-4-cyclohexylsulfanyl-pyrazole-3-carboxylate Openeye Name: 2-tert-butyl-4-cyclohexylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-tert-butyl-4-(cyclohexylthio)-3-pyrazolecarboxylate IUPAC Name: 2-tert-butyl-4-cyclohexylsulfanylpyrazole-3-carboxylate Traditional Name: 2-tert-butyl-4-(cyclohexylthio)pyrazole-3-carboxylate Formula: C14H21N2O2S- MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)SC2CCCCC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)SC2CCCCC2)C(=O)[O-]

InChI

InChI=1S/C14H22N2O2S/c1-14(2,3)16-12(13(17)18)11(9-15-16)19-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,17,18)/p-1