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

Systemtic Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-5-cyano-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H25FN4O2S MolecularWeight: 512.597803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H25FN4O2S/c1-19-26(28(36)34-21-12-6-3-7-13-21)27(22-14-8-9-15-24(22)30)23(16-31)29(33-19)37-18-25(35)32-17-20-10-4-2-5-11-20/h2-15,27,33H,17-18H2,1H3,(H,32,35)(H,34,36)