ethyl 5-cyano-2-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-1-[(4-phenyl-1-piperazinyl)methyl]-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[(4-phenylpiperazino)methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-3-27-21(26)19-13-17(14-22)20(28)25(16(19)2)15-23-9-11-24(12-10-23)18-7-5-4-6-8-18/h4-8,13H,3,9-12,15H2,1-2H3