5-cyano-N-(4-fluorophenyl)-2-methyl-6-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-N-(4-fluorophenyl)-2-methyl-6-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-N-(4-fluorophenyl)-2-methyl-6-[2-oxo-2-(4-pyridylamino)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-N-(4-fluorophenyl)-2-methyl-6-[[2-oxo-2-(pyridin-4-ylamino)ethyl]thio]-4-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-N-(4-fluorophenyl)-2-methyl-6-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-N-(4-fluorophenyl)-6-[[2-keto-2-(4-pyridylamino)ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C27H22FN5O2S MolecularWeight: 499.559283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=NC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=NC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H22FN5O2S/c1-17-24(26(35)33-20-9-7-19(28)8-10-20)25(18-5-3-2-4-6-18)22(15-29)27(31-17)36-16-23(34)32-21-11-13-30-14-12-21/h2-14,25,31H,16H2,1H3,(H,33,35)(H,30,32,34)