2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H18ClFN2S MolecularWeight: 408.918823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC3=C(C=CC=C3Cl)F)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=C(C=CC=C3Cl)F)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H18ClFN2S/c24-19-10-6-11-20(25)18(19)14-28-23-17(13-26)22(15-7-2-1-3-8-15)16-9-4-5-12-21(16)27-23/h1-3,6-8,10-11H,4-5,9,12,14H2