6-[(4-bromophenyl)methylsulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[(4-bromophenyl)methylthio]-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[(4-bromobenzyl)thio]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Formula: C19H16BrN3O2S MolecularWeight: 430.31824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Br)C#N)C3=CC=CO3)C(=O)N

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Br)C#N)C3=CC=CO3)C(=O)N

InChI

InChI=1S/C19H16BrN3O2S/c1-11-16(18(22)24)17(15-3-2-8-25-15)14(9-21)19(23-11)26-10-12-4-6-13(20)7-5-12/h2-8,17,23H,10H2,1H3,(H2,22,24)