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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C16H13ClFN4OS+ MolecularWeight: 363.817023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H12ClFN4OS/c17-13-8-11(6-7-14(13)18)21-15(23)9-24-16-19-10-20-22(16)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,21,23)/p+1