2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(3-keto-5-methyl-3-pyrazolin-4-yl)-1,2-benzothiazol-3-one Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=C(C(=O)NN1)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C11H9N3O4S/c1-6-9(10(15)13-12-6)14-11(16)7-4-2-3-5-8(7)19(14,17)18/h2-5H,1H3,(H2,12,13,15)