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

Systemtic Name: 4-azanyl-2-[1,1-bis(oxidanylidene)thiolan-3-yl]-1,5-dimethyl-pyrazol-3-one Openeye Name: 4-amino-2-(1,1-dioxothiolan-3-yl)-1,5-dimethyl-pyrazol-3-one CAS Name: 4-amino-2-(1,1-dioxo-3-thiolanyl)-1,5-dimethyl-3-pyrazolone IUPAC Name: 4-amino-2-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrazol-3-one Traditional Name: 4-amino-2-(1,1-diketothiolan-3-yl)-1,5-dimethyl-3-pyrazolin-3-one Formula: C9H15N3O3S MolecularWeight: 245.2987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2CCS(=O)(=O)C2)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2CCS(=O)(=O)C2)N

InChI

InChI=1S/C9H15N3O3S/c1-6-8(10)9(13)12(11(6)2)7-3-4-16(14,15)5-7/h7H,3-5,10H2,1-2H3