3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide

Systemtic Name: 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide Openeye Name: 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide CAS Name: 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarbothioamide IUPAC Name: 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide Traditional Name: 3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide Formula: C19H17F3N4S MolecularWeight: 390.42529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NN(C=C1C2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN(C)C1=NN(C=C1C2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3N4S/c1-25(2)17-16(13-7-4-3-5-8-13)12-26(24-17)18(27)23-15-10-6-9-14(11-15)19(20,21)22/h3-12H,1-2H3,(H,23,27)