2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromanylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromanylpyridin-1-ium-2-yl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromopyridin-1-ium-2-yl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(5-bromo-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-bromopyridin-1-ium-2-yl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(5-bromopyridin-1-ium-2-yl)acetamide Formula: C14H11BrN3OS2+ MolecularWeight: 381.29064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=[NH+]C=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=[NH+]C=C(C=C3)Br

InChI

InChI=1S/C14H10BrN3OS2/c15-9-5-6-12(16-7-9)18-13(19)8-20-14-17-10-3-1-2-4-11(10)21-14/h1-7H,8H2,(H,16,18,19)/p+1