2-(4-bromophenyl)-5-methoxy-4-(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-(4-bromophenyl)-5-methoxy-4-(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one Openeye Name: 4-benzylsulfanyl-2-(4-bromophenyl)-5-methoxy-4H-pyridazin-2-ium-3-one CAS Name: 2-(4-bromophenyl)-5-methoxy-4-(phenylmethylthio)-4H-pyridazin-2-ium-3-one IUPAC Name: 4-benzylsulfanyl-2-(4-bromophenyl)-5-methoxy-4H-pyridazin-2-ium-3-one Traditional Name: 4-(benzylthio)-2-(4-bromophenyl)-5-methoxy-4H-pyridazin-2-ium-3-one Formula: C18H16BrN2O2S+ MolecularWeight: 404.30084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=[N+](C(=O)C1SCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CN=[N+](C(=O)C1SCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN2O2S/c1-23-16-11-20-21(15-9-7-14(19)8-10-15)18(22)17(16)24-12-13-5-3-2-4-6-13/h2-11,17H,12H2,1H3/q+1