6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-furyl)-2-methyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-2-methyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H22BrN3O3S/c1-16-6-3-4-7-21(16)31-26(33)24-17(2)30-27(20(14-29)25(24)23-8-5-13-34-23)35-15-22(32)18-9-11-19(28)12-10-18/h3-13,25,30H,15H2,1-2H3,(H,31,33)