4-(3-methoxy-4-phenylmethoxy-phenyl)-6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4-(3-methoxy-4-phenylmethoxy-phenyl)-6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 4-(4-benzyloxy-3-methoxy-phenyl)-6-phenyl-2-[2-(1-piperidyl)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenyl-2-[2-(1-piperidinyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-6-phenyl-2-(2-piperidinoethylthio)nicotinonitrile Formula: C33H33N3O2S MolecularWeight: 535.69902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCCN3CCCCC3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCCN3CCCCC3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O2S/c1-37-32-21-27(15-16-31(32)38-24-25-11-5-2-6-12-25)28-22-30(26-13-7-3-8-14-26)35-33(29(28)23-34)39-20-19-36-17-9-4-10-18-36/h2-3,5-8,11-16,21-22H,4,9-10,17-20,24H2,1H3