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

Systemtic Name: 2-(4-bromophenyl)-5-methoxy-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-2-(4-bromophenyl)-5-methoxy-pyridazin-3-one CAS Name: 2-(4-bromophenyl)-5-methoxy-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-2-(4-bromophenyl)-5-methoxypyridazin-3-one Traditional Name: 4-(benzylthio)-2-(4-bromophenyl)-5-methoxy-pyridazin-3-one Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(N=C1)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=O)N(N=C1)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C18H15BrN2O2S/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/h2-11H,12H2,1H3