ethyl 5-cyano-2-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCC(=CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCC(=CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-3-27-22(26)20-13-19(14-23)21(28)25(16(20)2)15-24-11-9-18(10-12-24)17-7-5-4-6-8-17/h4-9,13H,3,10-12,15H2,1-2H3