N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-piazthiol-4-yl-acetamide Formula: C16H13N6OS2+ MolecularWeight: 369.44402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H12N6OS2/c23-14(19-12-7-4-8-13-15(12)21-25-20-13)9-24-16-17-10-18-22(16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,20,23)/p+1