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

Systemtic Name: ethyl 5-cyano-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-1-[[4-(4-fluorophenyl)piperazino]methyl]-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C21H23FN4O2S MolecularWeight: 414.496323

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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=C(C=C3)F)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O2S/c1-3-28-21(27)19-12-16(13-23)20(29)26(15(19)2)14-24-8-10-25(11-9-24)18-6-4-17(22)5-7-18/h4-7,12H,3,8-11,14H2,1-2H3