2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-fluorophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-fluorophenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-fluorophenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(4-fluorophenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-fluorophenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(4-fluorobenzylidene)amino]acetamide Formula: C16H14FN4OS+ MolecularWeight: 329.371963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN4OS/c17-12-7-5-11(6-8-12)9-18-21-15(22)10-23-16-19-13-3-1-2-4-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)/p+1