2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(4-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-5-keto-4-(4-methoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C24H21ClN2O2S MolecularWeight: 436.95374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3C(=NC(=C2C#N)SCC4=CC=C(C=C4)Cl)CCCC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2C3C(=NC(=C2C#N)SCC4=CC=C(C=C4)Cl)CCCC3=O

InChI

InChI=1S/C24H21ClN2O2S/c1-29-18-11-7-16(8-12-18)22-19(13-26)24(27-20-3-2-4-21(28)23(20)22)30-14-15-5-9-17(25)10-6-15/h5-12,22-23H,2-4,14H2,1H3