2-tert-butyl-4-chloranyl-5-methylsulfanyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-methylsulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-methylsulfanyl-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-(methylthio)-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-methylsulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(methylthio)-4H-pyridazin-2-ium-3-one Formula: C9H14ClN2OS+ MolecularWeight: 233.73826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14ClN2OS/c1-9(2,3)12-8(13)7(10)6(14-4)5-11-12/h5,7H,1-4H3/q+1