5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-(phenacylthio)-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-phenacylsulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-4-(4-fluorophenyl)-2-methyl-6-(phenacylthio)-N-phenyl-nicotinamide Formula: C28H20FN3O2S MolecularWeight: 481.540703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20FN3O2S/c1-18-25(27(34)32-22-10-6-3-7-11-22)26(20-12-14-21(29)15-13-20)23(16-30)28(31-18)35-17-24(33)19-8-4-2-5-9-19/h2-15H,17H2,1H3,(H,32,34)