2-[2-[1-[(4-methoxyphenyl)methylsulfanyl]ethyl]-2-pyridin-3-yl-cyclohexyl]ethanal

Systemtic Name: 2-[2-[1-[(4-methoxyphenyl)methylsulfanyl]ethyl]-2-pyridin-3-yl-cyclohexyl]ethanal Openeye Name: 2-[2-[1-[(4-methoxyphenyl)methylsulfanyl]ethyl]-2-(3-pyridyl)cyclohexyl]acetaldehyde CAS Name: 2-[2-[1-[(4-methoxyphenyl)methylthio]ethyl]-2-(3-pyridinyl)cyclohexyl]acetaldehyde IUPAC Name: 2-[2-[1-[(4-methoxyphenyl)methylsulfanyl]ethyl]-2-pyridin-3-ylcyclohexyl]acetaldehyde Traditional Name: 2-[2-[1-(p-anisylthio)ethyl]-2-(3-pyridyl)cyclohexyl]acetaldehyde Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCCC1CC=O)C2=CN=CC=C2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1(CCCCC1CC=O)C2=CN=CC=C2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29NO2S/c1-18(27-17-19-8-10-22(26-2)11-9-19)23(21-7-5-14-24-16-21)13-4-3-6-20(23)12-15-25/h5,7-11,14-16,18,20H,3-4,6,12-13,17H2,1-2H3