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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C17H14N5OS2+ MolecularWeight: 368.45596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N5OS2/c23-15(21-16-20-13-8-4-5-9-14(13)25-16)10-24-17-18-11-19-22(17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21,23)/p+1