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

Systemtic Name: 6-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]thio]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H22ClF3N4O2S MolecularWeight: 583.02379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22ClF3N4O2S/c1-17-25(27(39)36-20-10-6-3-7-11-20)26(18-8-4-2-5-9-18)21(15-34)28(35-17)40-16-24(38)37-23-14-19(29(31,32)33)12-13-22(23)30/h2-14,26,35H,16H2,1H3,(H,36,39)(H,37,38)