N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H10BrN3O2S2 MolecularWeight: 396.2821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[O-]

InChI

InChI=1S/C14H10BrN3O2S2/c15-9-4-5-10-11(7-9)22-14(16-10)17-12(19)8-21-13-3-1-2-6-18(13)20/h1-7H,8H2,(H,16,17,19)