N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H17F3N6O2S MolecularWeight: 426.41609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=C(N(N=C1)C2=NNC(=O)C=C2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=C(N(N=C1)C2=NNC(=O)C=C2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C17H17F3N6O2S/c1-25(2)11(12-4-3-7-29-12)9-21-16(28)10-8-22-26(15(10)17(18,19)20)13-5-6-14(27)24-23-13/h3-8,11H,9H2,1-2H3,(H,21,28)(H,24,27)