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2-tert-butyl-4-methylsulfanyl-5-nitro-pyridazin-3-one

2-tert-butyl-4-methylsulfanyl-5-nitro-pyridazin-3-one

Systemtic Name:2-tert-butyl-4-methylsulfanyl-5-nitro-pyridazin-3-one
Openeye Name:2-tert-butyl-4-methylsulfanyl-5-nitro-pyridazin-3-one
CAS Name:2-tert-butyl-4-(methylthio)-5-nitro-3-pyridazinone
IUPAC Name:2-tert-butyl-4-methylsulfanyl-5-nitropyridazin-3-one
Traditional Name:2-tert-butyl-4-(methylthio)-5-nitro-pyridazin-3-one
Formula: C9H13N3O3S
MolecularWeight: 243.28282
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)[N+](=O)[O-])SC


Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)[N+](=O)[O-])SC


InChI

InChI=1S/C9H13N3O3S/c1-9(2,3)11-8(13)7(16-4)6(5-10-11)12(14)15/h5H,1-4H3


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