6-(2-bromoethylsulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-(2-bromoethylsulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-(2-bromoethylsulfanyl)-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-(2-bromoethylthio)-5-cyano-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-(2-bromoethylsulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-(2-bromoethylthio)-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCCBr)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SCCBr)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O2S/c1-13-17(19(25)24-14-6-3-2-4-7-14)18(16-8-5-10-26-16)15(12-22)20(23-13)27-11-9-21/h2-8,10,18,23H,9,11H2,1H3,(H,24,25)