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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H28N2O3S MolecularWeight: 520.64132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=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/C32H28N2O3S/c1-36-25-15-11-23(12-16-25)30(35)21-38-32-28(19-33)31(27-9-5-6-10-29(27)34-32)24-13-17-26(18-14-24)37-20-22-7-3-2-4-8-22/h2-4,7-8,11-18H,5-6,9-10,20-21H2,1H3