2-tert-butyl-4-chloranyl-5-[(2Z)-2-hydroxyimino-2-phenyl-ethyl]sulfanyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(2Z)-2-hydroxyimino-2-phenyl-ethyl]sulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(2Z)-2-hydroxyimino-2-phenyl-ethyl]sulfanyl-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[(2Z)-2-hydroxyimino-2-phenylethyl]thio]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-[(2Z)-2-hydroxyimino-2-phenylethyl]sulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[(2Z)-2-hydroximino-2-phenyl-ethyl]thio]-4H-pyridazin-2-ium-3-one Formula: C16H19ClN3O2S+ MolecularWeight: 352.85896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SCC(=NO)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SC/C(=N\O)/C2=CC=CC=C2

InChI

InChI=1S/C16H18ClN3O2S/c1-16(2,3)20-15(21)14(17)13(9-18-20)23-10-12(19-22)11-7-5-4-6-8-11/h4-9,14H,10H2,1-3H3/p+1/b19-12+