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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl)Br)O

InChI

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