1-(6-methoxypyridazin-3-yl)-N-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(6-methoxypyridazin-3-yl)-N-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(6-methoxypyridazin-3-yl)-N-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(6-methoxy-3-pyridazinyl)-N-[4-(methylthio)phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(6-methoxypyridazin-3-yl)-N-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-methoxypyridazin-3-yl)-N-[4-(methylthio)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H14F3N5O2S MolecularWeight: 409.38557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2S/c1-27-14-8-7-13(23-24-14)25-15(17(18,19)20)12(9-21-25)16(26)22-10-3-5-11(28-2)6-4-10/h3-9H,1-2H3,(H,22,26)