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

Systemtic Name: 1,1-bis(oxidanylidene)-2-(2-pyrimidin-2-ylsulfanylethyl)-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-(2-pyrimidin-2-ylsulfanylethyl)-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[2-(2-pyrimidinylthio)ethyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-(2-pyrimidin-2-ylsulfanylethyl)-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(2-pyrimidylthio)ethyl]-1,2-benzothiazol-3-one Formula: C13H11N3O3S2 MolecularWeight: 321.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=NC=CC=N3

InChI

InChI=1S/C13H11N3O3S2/c17-12-10-4-1-2-5-11(10)21(18,19)16(12)8-9-20-13-14-6-3-7-15-13/h1-7H,8-9H2