N-(2-cycloheptylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioamide

Systemtic Name: N-(2-cycloheptylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioamide Openeye Name: N-(2-cycloheptylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioamide CAS Name: N-(2-cycloheptylphenyl)-1-methyl-3-(trifluoromethyl)-4-pyrazolecarbothioamide IUPAC Name: N-(2-cycloheptylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioamide Traditional Name: N-(2-cycloheptylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbothioamide Formula: C19H22F3N3S MolecularWeight: 381.45829

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(F)(F)F)C(=S)NC2=CC=CC=C2C3CCCCCC3

Isomeric SMILES

CN1C=C(C(=N1)C(F)(F)F)C(=S)NC2=CC=CC=C2C3CCCCCC3

InChI

InChI=1S/C19H22F3N3S/c1-25-12-15(17(24-25)19(20,21)22)18(26)23-16-11-7-6-10-14(16)13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,26)