2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C26H18ClFN2OS MolecularWeight: 460.950323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=C(C=CC=C3Cl)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=C(C=CC=C3Cl)F)C4=CC=CC=C4

InChI

InChI=1S/C26H18ClFN2OS/c1-31-19-12-10-17(11-13-19)20-14-25(18-6-3-2-4-7-18)30-26(21(20)15-29)32-16-22-23(27)8-5-9-24(22)28/h2-14H,16H2,1H3