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

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyleneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[(5-bromo-2-fluoro-benzylidene)amino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C17H15BrFN4OS+ MolecularWeight: 422.294603

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C17H14BrFN4OS/c1-23-15-5-3-2-4-14(15)21-17(23)25-10-16(24)22-20-9-11-8-12(18)6-7-13(11)19/h2-9H,10H2,1H3,(H,22,24)/p+1