N-(3-methylsulfanylphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-N-[3-(methylthio)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C16H12F3N5O2S MolecularWeight: 395.35899

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N5O2S/c1-27-10-4-2-3-9(7-10)21-15(26)11-8-20-24(14(11)16(17,18)19)12-5-6-13(25)23-22-12/h2-8H,1H3,(H,21,26)(H,23,25)