2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-nitrobenzylidene)amino]acetamide Formula: C18H18N5O3S+ MolecularWeight: 384.43222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c1-2-22-16-6-4-3-5-15(16)20-18(22)27-12-17(24)21-19-11-13-7-9-14(10-8-13)23(25)26/h3-11H,2,12H2,1H3,(H,21,24)/p+1