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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(4-fluorophenyl)sulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(4-fluorophenyl)sulfanyl-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(4-fluorophenyl)thio]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-(4-fluorophenyl)sulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(4-fluorophenyl)thio]-4H-pyridazin-2-ium-3-one Formula: C14H15ClFN2OS+ MolecularWeight: 313.798103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SC2=CC=C(C=C2)F

InChI

InChI=1S/C14H15ClFN2OS/c1-14(2,3)18-13(19)12(15)11(8-17-18)20-10-6-4-9(16)5-7-10/h4-8,12H,1-3H3/q+1