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

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C35H34N2O2S MolecularWeight: 546.72166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H34N2O2S/c1-2-3-9-25-14-16-27(17-15-25)33(38)24-40-35-31(22-36)34(30-12-7-8-13-32(30)37-35)28-18-20-29(21-19-28)39-23-26-10-5-4-6-11-26/h4-6,10-11,14-21H,2-3,7-9,12-13,23-24H2,1H3