1-cyclopropyl-2-isocyano-3-[2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]-4-(trifluoromethyl)phenyl]propane-1,3-dione

Systemtic Name: 1-cyclopropyl-2-isocyano-3-[2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]-4-(trifluoromethyl)phenyl]propane-1,3-dione Openeye Name: 1-cyclopropyl-2-isocyano-3-[2-[(4-methyl-3-methylsulfanyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-(trifluoromethyl)phenyl]propane-1,3-dione CAS Name: 1-cyclopropyl-2-isocyano-3-[2-[[4-methyl-3-(methylthio)-5-oxo-4H-pyrazol-1-yl]methyl]-4-(trifluoromethyl)phenyl]propane-1,3-dione IUPAC Name: 1-cyclopropyl-2-isocyano-3-[2-[(4-methyl-3-methylsulfanyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-(trifluoromethyl)phenyl]propane-1,3-dione Traditional Name: 1-cyclopropyl-2-isocyano-3-[2-[[5-keto-4-methyl-3-(methylthio)-2-pyrazolin-1-yl]methyl]-4-(trifluoromethyl)phenyl]propane-1,3-dione Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)CC2=C(C=CC(=C2)C(F)(F)F)C(=O)C(C(=O)C3CC3)[N+]#[C-])SC

Isomeric SMILES

CC1C(=NN(C1=O)CC2=C(C=CC(=C2)C(F)(F)F)C(=O)C(C(=O)C3CC3)[N+]#[C-])SC

InChI

InChI=1S/C20H18F3N3O3S/c1-10-18(30-3)25-26(19(10)29)9-12-8-13(20(21,22)23)6-7-14(12)17(28)15(24-2)16(27)11-4-5-11/h6-8,10-11,15H,4-5,9H2,1,3H3