2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C37H36N2O2S MolecularWeight: 572.75894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(CCCC4)C(=C3C#N)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(CCCC4)C(=C3C#N)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C37H36N2O2S/c38-23-33-36(30-19-21-31(22-20-30)41-24-26-9-3-1-4-10-26)32-13-7-8-14-34(32)39-37(33)42-25-35(40)29-17-15-28(16-18-29)27-11-5-2-6-12-27/h1,3-4,9-10,15-22,27H,2,5-8,11-14,24-25H2