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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H18Cl2N2S MolecularWeight: 425.37342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18Cl2N2S/c24-19-11-10-15(12-20(19)25)14-28-23-18(13-26)22(16-6-2-1-3-7-16)17-8-4-5-9-21(17)27-23/h1-3,6-7,10-12H,4-5,8-9,14H2