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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H11N3O2S2 MolecularWeight: 317.38604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H11N3O2S2/c18-12(9-20-13-7-3-4-8-17(13)19)16-14-15-10-5-1-2-6-11(10)21-14/h1-8H,9H2,(H,15,16,18)