4-chloranyl-2-phenyl-5-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C21H20ClN6O2S+ MolecularWeight: 455.9405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C21H19ClN6O2S/c22-19-17(12-23-28(21(19)29)16-4-2-1-3-5-16)27-9-7-26(8-10-27)13-18-24-20(25-30-18)15-6-11-31-14-15/h1-6,11-12,14H,7-10,13H2/p+1