2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(5-bromo-2-fluoro-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(5-bromo-2-fluorophenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(5-bromo-2-fluorophenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(5-bromo-2-fluoro-benzylidene)amino]acetamide Formula: C16H13BrFN4OS+ MolecularWeight: 408.268023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NN=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NN=CC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C16H12BrFN4OS/c17-11-5-6-12(18)10(7-11)8-19-22-15(23)9-24-16-20-13-3-1-2-4-14(13)21-16/h1-8H,9H2,(H,20,21)(H,22,23)/p+1