(4-propylsulfanyl-2-sulfanylidene-pyridin-1-yl) adamantane-1-carboxylate

Systemtic Name: (4-propylsulfanyl-2-sulfanylidene-pyridin-1-yl) adamantane-1-carboxylate Openeye Name: (4-propylsulfanyl-2-thioxo-1-pyridyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-(propylthio)-2-sulfanylidene-1-pyridinyl] ester IUPAC Name: (4-propylsulfanyl-2-sulfanylidenepyridin-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(propylthio)-2-thioxo-1-pyridyl] ester Formula: C19H25NO2S2 MolecularWeight: 363.5373

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=S)N(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCSC1=CC(=S)N(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25NO2S2/c1-2-5-24-16-3-4-20(17(23)9-16)22-18(21)19-10-13-6-14(11-19)8-15(7-13)12-19/h3-4,9,13-15H,2,5-8,10-12H2,1H3