5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-chloranyl-2-phenyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-chloranyl-2-phenyl-4H-pyridazin-2-ium-3-one Openeye Name: 5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-chloro-2-phenyl-4H-pyridazin-2-ium-3-one CAS Name: 5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-chloro-2-phenyl-4H-pyridazin-2-ium-3-one IUPAC Name: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-chloro-2-phenyl-4H-pyridazin-2-ium-3-one Traditional Name: 5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-chloro-2-phenyl-4H-pyridazin-2-ium-3-one Formula: C18H13BrClN2O2S+ MolecularWeight: 436.73002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=NC=C(C(C2=O)Cl)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=NC=C(C(C2=O)Cl)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H13BrClN2O2S/c19-13-8-6-12(7-9-13)15(23)11-25-16-10-21-22(18(24)17(16)20)14-4-2-1-3-5-14/h1-10,17H,11H2/q+1