N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]acetamide Formula: C12H12N5OS2+ MolecularWeight: 306.38658

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1)SCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[N+]1=C(NN=C1)SCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H11N5OS2/c1-17-7-13-16-12(17)19-6-10(18)15-11-14-8-4-2-3-5-9(8)20-11/h2-5,7H,6H2,1H3,(H,14,15,18)/p+1