N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C19H18F3N5O2S MolecularWeight: 437.43873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(F)(F)F

InChI

InChI=1S/C19H18F3N5O2S/c1-11-9-14(19(20,21)22)24-18(23-11)30-10-15(28)25-16-12(2)26(3)27(17(16)29)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,25,28)