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

Systemtic Name: (4-chloranyl-2-sulfanylidene-pyridin-1-yl) adamantane-1-carboxylate Openeye Name: (4-chloro-2-thioxo-1-pyridyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (4-chloro-2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (4-chloro-2-sulfanylidenepyridin-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-chloro-2-thioxo-1-pyridyl) ester Formula: C16H18ClNO2S MolecularWeight: 323.83762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC(=CC4=S)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC(=CC4=S)Cl

InChI

InChI=1S/C16H18ClNO2S/c17-13-1-2-18(14(21)6-13)20-15(19)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2