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

Systemtic Name: 2-tert-butyl-4-(1,2-oxazol-5-ylmethylsulfanyl)pyridazin-3-one Openeye Name: 2-tert-butyl-4-(isoxazol-5-ylmethylsulfanyl)pyridazin-3-one CAS Name: 2-tert-butyl-4-(5-isoxazolylmethylthio)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-(1,2-oxazol-5-ylmethylsulfanyl)pyridazin-3-one Traditional Name: 2-tert-butyl-4-(isoxazol-5-ylmethylthio)pyridazin-3-one Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CC=N1)SCC2=CC=NO2

Isomeric SMILES

CC(C)(C)N1C(=O)C(=CC=N1)SCC2=CC=NO2

InChI

InChI=1S/C12H15N3O2S/c1-12(2,3)15-11(16)10(5-6-13-15)18-8-9-4-7-14-17-9/h4-7H,8H2,1-3H3