1,1-bis(oxidanylidene)-2-(pyrimidin-2-ylsulfinylmethyl)-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-(pyrimidin-2-ylsulfinylmethyl)-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-(pyrimidin-2-ylsulfinylmethyl)-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-(2-pyrimidinylsulfinylmethyl)-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-(pyrimidin-2-ylsulfinylmethyl)-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(2-pyrimidylsulfinylmethyl)-1,2-benzothiazol-3-one Formula: C12H9N3O4S2 MolecularWeight: 323.34756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CS(=O)C3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CS(=O)C3=NC=CC=N3

InChI

InChI=1S/C12H9N3O4S2/c16-11-9-4-1-2-5-10(9)21(18,19)15(11)8-20(17)12-13-6-3-7-14-12/h1-7H,8H2