tert-butyl 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-4-propyl-6-thioxo-1H-pyridin-2-yl)piperidine-1-carboxylate CAS Name: 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)piperidine-1-carboxylate Traditional Name: 4-(5-cyano-4-propyl-6-thioxo-1H-pyridin-2-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=S)NC(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCCC1=C(C(=S)NC(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C19H27N3O2S/c1-5-6-14-11-16(21-17(25)15(14)12-20)13-7-9-22(10-8-13)18(23)24-19(2,3)4/h11,13H,5-10H2,1-4H3,(H,21,25)