2-methylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(methylthio)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-methylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-(methylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H22N2OS MolecularWeight: 386.50928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2OS/c1-28-24-21(15-25)23(20-9-5-6-10-22(20)26-24)18-11-13-19(14-12-18)27-16-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,16H2,1H3