5-bromanyl-2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-methyl-pyrimidin-4-one

Systemtic Name: 5-bromanyl-2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-methyl-pyrimidin-4-one Openeye Name: 5-bromo-2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-methyl-pyrimidin-4-one CAS Name: 5-bromo-2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-methyl-4-pyrimidinone IUPAC Name: 5-bromo-2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-methylpyrimidin-4-one Traditional Name: 5-bromo-2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-methyl-pyrimidin-4-one Formula: C19H22BrClN2O2S MolecularWeight: 457.81218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C19H22BrClN2O2S/c1-23-13-16(20)18(25)22-19(23)26-12-6-4-2-3-5-7-17(24)14-8-10-15(21)11-9-14/h8-11,13H,2-7,12H2,1H3