(4S)-2-methyl-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Systemtic Name: (4S)-2-methyl-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: (4S)-2-methyl-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: (4S)-2-methyl-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: (4S)-2-methyl-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: (4S)-5-keto-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile Formula: C17H13F3N4O2 MolecularWeight: 362.30593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C2=C(NN(C2=O)C3=CC=CC=C3)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=C([C@@](C(=O)N1)(C2=C(NN(C2=O)C3=CC=CC=C3)C)C(F)(F)F)C#N

InChI

InChI=1S/C17H13F3N4O2/c1-9-12(8-21)16(15(26)22-9,17(18,19)20)13-10(2)23-24(14(13)25)11-6-4-3-5-7-11/h3-7,23H,1-2H3,(H,22,26)/t16-/m0/s1