2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H12N2O4S2/c17-14-11-5-1-2-6-12(11)22(19,20)16(14)9-10-21-13-7-3-4-8-15(13)18/h1-8H,9-10H2