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

Systemtic Name: 5-cyano-6-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-6-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-2-methyl-N-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-2-methyl-N-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-6-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-2-methyl-N-phenyl-4-(3-pyridyl)-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)SCCCC(=O)C2=CC=C(C=C2)F)C#N)C3=CN=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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