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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(4-methoxyphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(4-methoxyphenyl)sulfanyl-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(4-methoxyphenyl)thio]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-(4-methoxyphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(4-methoxyphenyl)thio]-4H-pyridazin-2-ium-3-one Formula: C15H18ClN2O2S+ MolecularWeight: 325.83362

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN2O2S/c1-15(2,3)18-14(19)13(16)12(9-17-18)21-11-7-5-10(20-4)6-8-11/h5-9,13H,1-4H3/q+1