4-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(phenylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H19ClN2S MolecularWeight: 390.92836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2S/c24-18-12-10-17(11-13-18)22-19-8-4-5-9-21(19)26-23(20(22)14-25)27-15-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,15H2