2-[(4-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-7,7-dimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-5-keto-7,7-dimethyl-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C23H21ClN2OS2 MolecularWeight: 441.00864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC3=CC=C(C=C3)Cl)C#N)C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC3=CC=C(C=C3)Cl)C#N)C4=CC=CS4)C(=O)C1)C

InChI

InChI=1S/C23H21ClN2OS2/c1-23(2)10-17-21(18(27)11-23)20(19-4-3-9-28-19)16(12-25)22(26-17)29-13-14-5-7-15(24)8-6-14/h3-9,20,26H,10-11,13H2,1-2H3