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

Systemtic Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[[2-(4-nitroanilino)-2-oxoethyl]thio]-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-4-(2-fluorophenyl)-6-[[2-keto-2-(4-nitroanilino)ethyl]thio]-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C28H22FN5O4S MolecularWeight: 543.568783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H22FN5O4S/c1-17-25(27(36)33-18-7-3-2-4-8-18)26(21-9-5-6-10-23(21)29)22(15-30)28(31-17)39-16-24(35)32-19-11-13-20(14-12-19)34(37)38/h2-14,26,31H,16H2,1H3,(H,32,35)(H,33,36)