4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-[(4-chlorophenyl)methylthio]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-[(4-chlorobenzyl)thio]-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H16BrClN2O3S MolecularWeight: 479.77464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)Br)O

InChI

InChI=1S/C20H16BrClN2O3S/c1-27-17-7-12(6-16(21)19(17)26)14-8-18(25)24-20(15(14)9-23)28-10-11-2-4-13(22)5-3-11/h2-7,14,26H,8,10H2,1H3,(H,24,25)