ethyl 5-cyano-2-methyl-1-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]methyl]-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-1-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]methyl]-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]methyl]-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-1-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]methyl]-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-1-[[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]methyl]-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[[methyl-[4-(methylcarbamoyl)benzyl]amino]methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(C)CC2=CC=C(C=C2)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(C)CC2=CC=C(C=C2)C(=O)NC)C

InChI

InChI=1S/C21H24N4O3S/c1-5-28-21(27)18-10-17(11-22)20(29)25(14(18)2)13-24(4)12-15-6-8-16(9-7-15)19(26)23-3/h6-10H,5,12-13H2,1-4H3,(H,23,26)