2-tert-butyl-4-chloranyl-2-oxidanyl-5-(1-phenylethylsulfanyl)pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-2-oxidanyl-5-(1-phenylethylsulfanyl)pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-2-hydroxy-5-(1-phenylethylsulfanyl)pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-2-hydroxy-5-(1-phenylethylthio)-3-pyridazin-2-iumone IUPAC Name: 2-tert-butyl-4-chloro-2-hydroxy-5-(1-phenylethylsulfanyl)pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-2-hydroxy-5-(1-phenylethylthio)pyridazin-2-ium-3-one Formula: C16H20ClN2O2S+ MolecularWeight: 339.8602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=C(C(=O)[N+](N=C2)(C(C)(C)C)O)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=C(C(=O)[N+](N=C2)(C(C)(C)C)O)Cl

InChI

InChI=1S/C16H20ClN2O2S/c1-11(12-8-6-5-7-9-12)22-13-10-18-19(21,16(2,3)4)15(20)14(13)17/h5-11,21H,1-4H3/q+1