1-(1-adamantyl)-2-(3-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(3-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(3-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(3-methoxyphenyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(3-methoxyphenyl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(3-methoxyphenyl)thio]ethanone Formula: C19H24O2S MolecularWeight: 316.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC=C1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24O2S/c1-21-16-3-2-4-17(8-16)22-12-18(20)19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3