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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C22H21ClN5OS2+ MolecularWeight: 471.01804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H20ClN5OS2/c23-20-18(13-24-28(22(20)29)17-5-2-1-3-6-17)27-10-8-26(9-11-27)14-16-15-31-21(25-16)19-7-4-12-30-19/h1-7,12-13,15H,8-11,14H2/p+1