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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(4-bromophenyl)methylsulfanyl]-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(4-bromophenyl)methylthio]-4-(2-furanyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-bromobenzyl)thio]-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C20H17BrN2O2S MolecularWeight: 429.33018

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O2S/c1-12-18(13(2)24)19(17-4-3-9-25-17)16(10-22)20(23-12)26-11-14-5-7-15(21)8-6-14/h3-9,19,23H,11H2,1-2H3