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

Systemtic Name: 4-chloranyl-2-(2-methylphenyl)-5-(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one Openeye Name: 5-benzylsulfanyl-4-chloro-2-(o-tolyl)-4H-pyridazin-2-ium-3-one CAS Name: 4-chloro-2-(2-methylphenyl)-5-(phenylmethylthio)-4H-pyridazin-2-ium-3-one IUPAC Name: 5-benzylsulfanyl-4-chloro-2-(2-methylphenyl)-4H-pyridazin-2-ium-3-one Traditional Name: 5-(benzylthio)-4-chloro-2-(o-tolyl)-4H-pyridazin-2-ium-3-one Formula: C18H16ClN2OS+ MolecularWeight: 343.85044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN2OS/c1-13-7-5-6-10-15(13)21-18(22)17(19)16(11-20-21)23-12-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3/q+1