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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H16ClFN2S2 MolecularWeight: 414.946543

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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=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=C(C=CC=C3Cl)F)C#N)C4=CC=CS4

InChI

InChI=1S/C21H16ClFN2S2/c22-16-6-3-7-17(23)15(16)12-27-21-14(11-24)20(19-9-4-10-26-19)13-5-1-2-8-18(13)25-21/h3-4,6-7,9-10H,1-2,5,8,12H2