2-tert-butyl-4-methylsulfanyl-5-(1,2-oxazol-5-yl)pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-methylsulfanyl-5-(1,2-oxazol-5-yl)pyridazin-3-one Openeye Name: 2-tert-butyl-5-isoxazol-5-yl-4-methylsulfanyl-pyridazin-3-one CAS Name: 2-tert-butyl-5-(5-isoxazolyl)-4-(methylthio)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-methylsulfanyl-5-(1,2-oxazol-5-yl)pyridazin-3-one Traditional Name: 2-tert-butyl-5-isoxazol-5-yl-4-(methylthio)pyridazin-3-one Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=NO2)SC

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=NO2)SC

InChI

InChI=1S/C12H15N3O2S/c1-12(2,3)15-11(16)10(18-4)8(7-13-15)9-5-6-14-17-9/h5-7H,1-4H3