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

Systemtic Name: ethyl 5-cyano-1-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-1-[[(3-fluorobenzyl)-methyl-amino]methyl]-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C19H20FN3O2S MolecularWeight: 373.444403

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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(=CC=C2)F)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O2S/c1-4-25-19(24)17-9-15(10-21)18(26)23(13(17)2)12-22(3)11-14-6-5-7-16(20)8-14/h5-9H,4,11-12H2,1-3H3