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

Systemtic Name: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[(2-chlorophenyl)methylthio]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(2-chlorobenzyl)thio]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H27ClN2S MolecularWeight: 447.03468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2S/c1-27(2,3)20-13-14-24-21(15-20)25(18-9-5-4-6-10-18)22(16-29)26(30-24)31-17-19-11-7-8-12-23(19)28/h4-12,20H,13-15,17H2,1-3H3