4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(benzylthio)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S/c1-26-17-8-13(7-16(21)19(17)25)14-9-18(24)23-20(15(14)10-22)27-11-12-5-3-2-4-6-12/h2-8,14,25H,9,11H2,1H3,(H,23,24)