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

Systemtic Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CN1C=CN=C1SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C13H13N3O3S2/c1-15-7-6-14-13(15)20-9-8-16-12(17)10-4-2-3-5-11(10)21(16,18)19/h2-7H,8-9H2,1H3