6-ethanoyl-5-methyl-2-phenyl-4-[4-(thiolan-1-ium-1-yl)butylsulfanyl]pyridazin-3-one

Systemtic Name: 6-ethanoyl-5-methyl-2-phenyl-4-[4-(thiolan-1-ium-1-yl)butylsulfanyl]pyridazin-3-one Openeye Name: 6-acetyl-5-methyl-2-phenyl-4-(4-tetrahydrothiophen-1-ium-1-ylbutylsulfanyl)pyridazin-3-one CAS Name: 6-acetyl-5-methyl-2-phenyl-4-[4-(1-thiolan-1-iumyl)butylthio]-3-pyridazinone IUPAC Name: 6-acetyl-5-methyl-2-phenyl-4-[4-(thiolan-1-ium-1-yl)butylsulfanyl]pyridazin-3-one Traditional Name: 6-acetyl-5-methyl-2-phenyl-4-(4-tetrahydrothiophen-1-ium-1-ylbutylthio)pyridazin-3-one Formula: C21H27N2O2S2+ MolecularWeight: 403.58128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)C)C2=CC=CC=C2)SCCCC[S+]3CCCC3

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)C)C2=CC=CC=C2)SCCCC[S+]3CCCC3

InChI

InChI=1S/C21H27N2O2S2/c1-16-19(17(2)24)22-23(18-10-4-3-5-11-18)21(25)20(16)26-12-6-7-13-27-14-8-9-15-27/h3-5,10-11H,6-9,12-15H2,1-2H3/q+1