2-[(4-nitrophenyl)methylideneazaniumyl]-N-phenyl-2,3-dihydrobenzimidazole-1-carboximidothioate

Systemtic Name: 2-[(4-nitrophenyl)methylideneazaniumyl]-N-phenyl-2,3-dihydrobenzimidazole-1-carboximidothioate Openeye Name: 2-[(4-nitrophenyl)methyleneammonio]-N-phenyl-2,3-dihydrobenzimidazole-1-carboximidothioate CAS Name: 2-[(4-nitrophenyl)methylideneammonio]-N-phenyl-2,3-dihydrobenzimidazole-1-carboximidothioate IUPAC Name: 2-[(4-nitrophenyl)methylideneazaniumyl]-N-phenyl-2,3-dihydrobenzimidazole-1-carboximidothioate Traditional Name: 2-(4-nitrobenzylidene)ammonio-N-phenyl-2,3-dihydrobenzimidazole-1-carboximidothioate Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N2C(NC3=CC=CC=C32)[NH+]=CC4=CC=C(C=C4)[N+](=O)[O-])[S-]

Isomeric SMILES

C1=CC=C(C=C1)N=C(N2C(NC3=CC=CC=C32)/[NH+]=C/C4=CC=C(C=C4)[N+](=O)[O-])[S-]

InChI

InChI=1S/C21H17N5O2S/c27-26(28)17-12-10-15(11-13-17)14-22-20-24-18-8-4-5-9-19(18)25(20)21(29)23-16-6-2-1-3-7-16/h1-14,20,24H,(H,23,29)/b22-14+