2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-4-phenyl-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-4-phenyl-6-(trifluoromethyl)nicotinonitrile Formula: C19H14F3N5O2S MolecularWeight: 433.40697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C19H14F3N5O2S/c1-11-17(27(28)29)12(2)26(25-11)10-30-18-15(9-23)14(13-6-4-3-5-7-13)8-16(24-18)19(20,21)22/h3-8H,10H2,1-2H3