S-[(5-ethynylpyridin-2-yl)methyl] 8-methyl-1-oxidanyl-adamantane-2-carbothioate

Systemtic Name: S-[(5-ethynylpyridin-2-yl)methyl] 8-methyl-1-oxidanyl-adamantane-2-carbothioate Openeye Name: S-[(5-ethynyl-2-pyridyl)methyl] 1-hydroxy-8-methyl-adamantane-2-carbothioate CAS Name: 1-hydroxy-8-methyl-2-adamantanecarbothioic acid S-[(5-ethynyl-2-pyridinyl)methyl] ester IUPAC Name: S-[(5-ethynylpyridin-2-yl)methyl] 1-hydroxy-8-methyladamantane-2-carbothioate Traditional Name: 1-hydroxy-8-methyl-adamantane-2-carbothioic acid S-[(5-ethynyl-2-pyridyl)methyl] ester Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC3CC(C2)C(C1(C3)O)C(=O)SCC4=NC=C(C=C4)C#C

Isomeric SMILES

CC1C2CC3CC(C2)C(C1(C3)O)C(=O)SCC4=NC=C(C=C4)C#C

InChI

InChI=1S/C20H23NO2S/c1-3-13-4-5-17(21-10-13)11-24-19(22)18-16-7-14-6-15(8-16)12(2)20(18,23)9-14/h1,4-5,10,12,14-16,18,23H,6-9,11H2,2H3