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

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-chloranyl-5-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-chloro-5-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(2-chloro-5-nitro-benzylidene)amino]acetamide Formula: C16H13ClN5O3S+ MolecularWeight: 390.82412

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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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O3S/c17-12-6-5-11(22(24)25)7-10(12)8-18-21-15(23)9-26-16-19-13-3-1-2-4-14(13)20-16/h1-8H,9H2,(H,19,20)(H,21,23)/p+1