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

Systemtic Name: 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-hexylsulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-(hexylthio)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-(hexylthio)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

CCCCCCSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

InChI

InChI=1S/C19H23BrN2O3S/c1-3-4-5-6-7-26-19-14(11-21)13(10-17(23)22-19)12-8-15(20)18(24)16(9-12)25-2/h8-9,13,24H,3-7,10H2,1-2H3,(H,22,23)