N-(2-methoxy-4-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C17H17N4O4S+ MolecularWeight: 373.40628

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N4O4S/c1-20-14-6-4-3-5-12(14)19-17(20)26-10-16(22)18-13-8-7-11(21(23)24)9-15(13)25-2/h3-9H,10H2,1-2H3,(H,18,22)/p+1