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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile Formula: C20H16F3N5O3S MolecularWeight: 463.43295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5O3S/c1-11-18(28(29)30)12(2)27(26-11)10-32-19-16(9-24)15(8-17(25-19)20(21,22)23)13-4-6-14(31-3)7-5-13/h4-8H,10H2,1-3H3