2-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]-6-methyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]-6-methyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-fluoro-6-nitro-phenyl)methylsulfanyl]-6-methyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(2-fluoro-6-nitrophenyl)methylthio]-6-methyl-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-fluoro-6-nitrophenyl)methylsulfanyl]-6-methyl-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-fluoro-6-nitro-benzyl)thio]-6-methyl-4-phenyl-nicotinonitrile Formula: C20H14FN3O2S MolecularWeight: 379.407463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC3=C(C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC3=C(C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H14FN3O2S/c1-13-10-15(14-6-3-2-4-7-14)16(11-22)20(23-13)27-12-17-18(21)8-5-9-19(17)24(25)26/h2-10H,12H2,1H3