N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carbothioamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carbothioamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carbothioamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carbothioamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carbothioamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-2-pyrazoline-3-carbothioamide Formula: C14H10F6N4S MolecularWeight: 380.311419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1)C(F)(F)F)C(=S)NC2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC1(CC(=NN1)C(F)(F)F)C(=S)NC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C14H10F6N4S/c1-12(5-10(23-24-12)14(18,19)20)11(25)22-8-3-2-7(6-21)9(4-8)13(15,16)17/h2-4,24H,5H2,1H3,(H,22,25)