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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-thiazol-2-yl-acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-thiazol-2-yl-acetamide Formula: C13H12N5OS2+ MolecularWeight: 318.39728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=NC=CS3

InChI

InChI=1S/C13H11N5OS2/c19-11(17-12-14-6-7-20-12)8-21-13-15-9-16-18(13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,17,19)/p+1