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

Systemtic Name: 4-azanyl-2-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-5-propan-2-yl-pyrazol-3-one Openeye Name: 4-amino-2-(1,1-dioxothiolan-3-yl)-5-isopropyl-1-methyl-pyrazol-3-one CAS Name: 4-amino-2-(1,1-dioxo-3-thiolanyl)-1-methyl-5-propan-2-yl-3-pyrazolone IUPAC Name: 4-amino-2-(1,1-dioxothiolan-3-yl)-1-methyl-5-propan-2-ylpyrazol-3-one Traditional Name: 4-amino-2-(1,1-diketothiolan-3-yl)-5-isopropyl-1-methyl-3-pyrazolin-3-one Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O3S/c1-7(2)10-9(12)11(15)14(13(10)3)8-4-5-18(16,17)6-8/h7-8H,4-6,12H2,1-3H3