methyl 4-(3-bromanyl-4-fluoranyl-phenyl)-6-tert-butyl-5-cyano-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4-fluoranyl-phenyl)-6-tert-butyl-5-cyano-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(3-bromo-4-fluoro-phenyl)-6-tert-butyl-5-cyano-2-(4-pyridylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-6-tert-butyl-5-cyano-2-[(pyridin-4-ylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4-fluorophenyl)-6-tert-butyl-5-cyano-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-6-tert-butyl-5-cyano-2-[(4-pyridylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C24H23BrFN3O2S MolecularWeight: 516.425723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(C(=C(N1)CSC2=CC=NC=C2)C(=O)OC)C3=CC(=C(C=C3)F)Br)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(C(=C(N1)CSC2=CC=NC=C2)C(=O)OC)C3=CC(=C(C=C3)F)Br)C#N

InChI

InChI=1S/C24H23BrFN3O2S/c1-24(2,3)22-16(12-27)20(14-5-6-18(26)17(25)11-14)21(23(30)31-4)19(29-22)13-32-15-7-9-28-10-8-15/h5-11,20,29H,13H2,1-4H3