2-(4-methylphenyl)-4,5-bis(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-(4-methylphenyl)-4,5-bis(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one Openeye Name: 4,5-bis(benzylsulfanyl)-2-(p-tolyl)-4H-pyridazin-2-ium-3-one CAS Name: 2-(4-methylphenyl)-4,5-bis(phenylmethylthio)-4H-pyridazin-2-ium-3-one IUPAC Name: 4,5-bis(benzylsulfanyl)-2-(4-methylphenyl)-4H-pyridazin-2-ium-3-one Traditional Name: 4,5-bis(benzylthio)-2-(p-tolyl)-4H-pyridazin-2-ium-3-one Formula: C25H23N2OS2+ MolecularWeight: 431.59292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=NC=C(C(C2=O)SCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=NC=C(C(C2=O)SCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H23N2OS2/c1-19-12-14-22(15-13-19)27-25(28)24(30-18-21-10-6-3-7-11-21)23(16-26-27)29-17-20-8-4-2-5-9-20/h2-16,24H,17-18H2,1H3/q+1