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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-(2-furyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-4-(2-furanyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-4-(2-furyl)-6-(trifluoromethyl)nicotinonitrile Formula: C17H12F3N5O3S MolecularWeight: 423.36909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=CO3)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=CO3)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N5O3S/c1-9-15(25(26)27)10(2)24(23-9)8-29-16-12(7-21)11(13-4-3-5-28-13)6-14(22-16)17(18,19)20/h3-6H,8H2,1-2H3