3-[4-[3,3-bis(bromanyl)propylsulfanyl]-3-nitro-phenyl]-5-(4-hydroxyphenyl)-1-methyl-pyridin-4-one

Systemtic Name: 3-[4-[3,3-bis(bromanyl)propylsulfanyl]-3-nitro-phenyl]-5-(4-hydroxyphenyl)-1-methyl-pyridin-4-one Openeye Name: 3-[4-(3,3-dibromopropylsulfanyl)-3-nitro-phenyl]-5-(4-hydroxyphenyl)-1-methyl-pyridin-4-one CAS Name: 3-[4-(3,3-dibromopropylthio)-3-nitrophenyl]-5-(4-hydroxyphenyl)-1-methyl-4-pyridinone IUPAC Name: 3-[4-(3,3-dibromopropylsulfanyl)-3-nitrophenyl]-5-(4-hydroxyphenyl)-1-methylpyridin-4-one Traditional Name: 3-[4-(3,3-dibromopropylthio)-3-nitro-phenyl]-5-(4-hydroxyphenyl)-1-methyl-4-pyridone Formula: C21H18Br2N2O4S MolecularWeight: 554.25162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C(=C1)C2=CC(=C(C=C2)SCCC(Br)Br)[N+](=O)[O-])C3=CC=C(C=C3)O

Isomeric SMILES

CN1C=C(C(=O)C(=C1)C2=CC(=C(C=C2)SCCC(Br)Br)[N+](=O)[O-])C3=CC=C(C=C3)O

InChI

InChI=1S/C21H18Br2N2O4S/c1-24-11-16(13-2-5-15(26)6-3-13)21(27)17(12-24)14-4-7-19(18(10-14)25(28)29)30-9-8-20(22)23/h2-7,10-12,20,26H,8-9H2,1H3