3-[bis(fluoranyl)methyl]-N-(2-cyclohexylphenyl)-1-methyl-pyrazole-4-carbothioamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-N-(2-cyclohexylphenyl)-1-methyl-pyrazole-4-carbothioamide Openeye Name: N-(2-cyclohexylphenyl)-3-(difluoromethyl)-1-methyl-pyrazole-4-carbothioamide CAS Name: N-(2-cyclohexylphenyl)-3-(difluoromethyl)-1-methyl-4-pyrazolecarbothioamide IUPAC Name: N-(2-cyclohexylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carbothioamide Traditional Name: N-(2-cyclohexylphenyl)-3-(difluoromethyl)-1-methyl-pyrazole-4-carbothioamide Formula: C18H21F2N3S MolecularWeight: 349.441246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(F)F)C(=S)NC2=CC=CC=C2C3CCCCC3

Isomeric SMILES

CN1C=C(C(=N1)C(F)F)C(=S)NC2=CC=CC=C2C3CCCCC3

InChI

InChI=1S/C18H21F2N3S/c1-23-11-14(16(22-23)17(19)20)18(24)21-15-10-6-5-9-13(15)12-7-3-2-4-8-12/h5-6,9-12,17H,2-4,7-8H2,1H3,(H,21,24)