4-azanyl-2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-1-methyl-pyrazol-3-one

Systemtic Name: 4-azanyl-2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-1-methyl-pyrazol-3-one Openeye Name: 4-amino-5-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1-methyl-pyrazol-3-one CAS Name: 4-amino-5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-1-methyl-3-pyrazolone IUPAC Name: 4-amino-5-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1-methylpyrazol-3-one Traditional Name: 4-amino-5-tert-butyl-2-(1,1-diketothiolan-3-yl)-1-methyl-3-pyrazolin-3-one Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1C)C2CCS(=O)(=O)C2)N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1C)C2CCS(=O)(=O)C2)N

InChI

InChI=1S/C12H21N3O3S/c1-12(2,3)10-9(13)11(16)15(14(10)4)8-5-6-19(17,18)7-8/h8H,5-7,13H2,1-4H3