2-[(2-nitrophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(2-nitrophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(2-nitrophenyl)methylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2-nitrophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-nitrobenzyl)thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H12F3N3O2S MolecularWeight: 415.38839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H12F3N3O2S/c21-20(22,23)16-10-17(13-6-2-1-3-7-13)25-19(15(16)11-24)29-12-14-8-4-5-9-18(14)26(27)28/h1-10H,12H2