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

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyleneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[(2-chloro-5-nitro-benzylidene)amino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C17H15ClN5O3S+ MolecularWeight: 404.8507

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O3S/c1-22-15-5-3-2-4-14(15)20-17(22)27-10-16(24)21-19-9-11-8-12(23(25)26)6-7-13(11)18/h2-9H,10H2,1H3,(H,21,24)/p+1