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

Systemtic Name: 2-phenacylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(phenacylthio)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-phenacylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H26N2O2S MolecularWeight: 490.61534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O2S/c32-19-27-30(24-15-17-25(18-16-24)35-20-22-9-3-1-4-10-22)26-13-7-8-14-28(26)33-31(27)36-21-29(34)23-11-5-2-6-12-23/h1-6,9-12,15-18H,7-8,13-14,20-21H2