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

Systemtic Name: (4-cyano-2-sulfanylidene-pyridin-1-yl) adamantane-1-carboxylate Openeye Name: (4-cyano-2-thioxo-1-pyridyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (4-cyano-2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (4-cyano-2-sulfanylidenepyridin-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-cyano-2-thioxo-1-pyridyl) ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c18-10-11-1-2-19(15(22)6-11)21-16(20)17-7-12-3-13(8-17)5-14(4-12)9-17/h1-2,6,12-14H,3-5,7-9H2