2-tert-butyl-4-chloranyl-5-(4-propan-2-ylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(4-propan-2-ylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(4-isopropylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(4-propan-2-ylphenyl)thio]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-(4-propan-2-ylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(p-cumenylthio)-4H-pyridazin-2-ium-3-one Formula: C17H22ClN2OS+ MolecularWeight: 337.88738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=CN=[N+](C(=O)C2Cl)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=CN=[N+](C(=O)C2Cl)C(C)(C)C

InChI

InChI=1S/C17H22ClN2OS/c1-11(2)12-6-8-13(9-7-12)22-14-10-19-20(17(3,4)5)16(21)15(14)18/h6-11,15H,1-5H3/q+1