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

Systemtic Name: 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-(2-methylprop-2-enylsulfanyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-(2-methylallylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-(2-methylprop-2-enylthio)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-(2-methylprop-2-enylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-(2-methylallylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

CC(=C)CSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

InChI

InChI=1S/C17H17BrN2O3S/c1-9(2)8-24-17-12(7-19)11(6-15(21)20-17)10-4-13(18)16(22)14(5-10)23-3/h4-5,11,22H,1,6,8H2,2-3H3,(H,20,21)