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

Systemtic Name: ethyl 5-cyano-1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-1-[[cyclopropyl-(4-fluorobenzyl)amino]methyl]-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(CC2=CC=C(C=C2)F)C3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN(CC2=CC=C(C=C2)F)C3CC3)C

InChI

InChI=1S/C21H22FN3O2S/c1-3-27-21(26)19-10-16(11-23)20(28)25(14(19)2)13-24(18-8-9-18)12-15-4-6-17(22)7-5-15/h4-7,10,18H,3,8-9,12-13H2,1-2H3