4-chloranyl-2-(4-methylphenyl)sulfonyl-5-(4-propan-2-ylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 4-chloranyl-2-(4-methylphenyl)sulfonyl-5-(4-propan-2-ylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 4-chloro-5-(4-isopropylphenyl)sulfanyl-2-(p-tolylsulfonyl)-4H-pyridazin-2-ium-3-one CAS Name: 4-chloro-2-(4-methylphenyl)sulfonyl-5-[(4-propan-2-ylphenyl)thio]-4H-pyridazin-2-ium-3-one IUPAC Name: 4-chloro-2-(4-methylphenyl)sulfonyl-5-(4-propan-2-ylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 4-chloro-5-(p-cumenylthio)-2-tosyl-4H-pyridazin-2-ium-3-one Formula: C20H20ClN2O3S2+ MolecularWeight: 435.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=NC=C(C(C2=O)Cl)SC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=NC=C(C(C2=O)Cl)SC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H20ClN2O3S2/c1-13(2)15-6-8-16(9-7-15)27-18-12-22-23(20(24)19(18)21)28(25,26)17-10-4-14(3)5-11-17/h4-13,19H,1-3H3/q+1