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

Systemtic Name: 5-[(2Z)-2-(4-bromophenyl)-2-hydroxyimino-ethyl]sulfanyl-2-tert-butyl-4-chloranyl-4H-pyridazin-2-ium-3-one Openeye Name: 5-[(2Z)-2-(4-bromophenyl)-2-hydroxyimino-ethyl]sulfanyl-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one CAS Name: 5-[[(2Z)-2-(4-bromophenyl)-2-hydroxyiminoethyl]thio]-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one IUPAC Name: 5-[(2Z)-2-(4-bromophenyl)-2-hydroxyiminoethyl]sulfanyl-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one Traditional Name: 5-[[(2Z)-2-(4-bromophenyl)-2-hydroximino-ethyl]thio]-2-tert-butyl-4-chloro-4H-pyridazin-2-ium-3-one Formula: C16H18BrClN3O2S+ MolecularWeight: 431.75502

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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=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrClN3O2S/c1-16(2,3)21-15(22)14(18)13(8-19-21)24-9-12(20-23)10-4-6-11(17)7-5-10/h4-8,14H,9H2,1-3H3/p+1/b20-12+