N-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)benzimidazol-1-yl]-1-(5-nitrofuran-2-yl)methanimine

Systemtic Name: N-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)benzimidazol-1-yl]-1-(5-nitrofuran-2-yl)methanimine Openeye Name: N-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)benzimidazol-1-yl]-1-(5-nitro-2-furyl)methanimine CAS Name: N-[2-[2-(4-morpholin-4-iumyl)ethylthio]-1-benzimidazolyl]-1-(5-nitro-2-furanyl)methanimine IUPAC Name: N-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)benzimidazol-1-yl]-1-(5-nitrofuran-2-yl)methanimine Traditional Name: (Z)-[2-(2-morpholin-4-ium-4-ylethylthio)benzimidazol-1-yl]-[(5-nitro-2-furyl)methylene]amine Formula: C18H20N5O4S+ MolecularWeight: 402.4475

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC3=CC=CC=C3N2N=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC3=CC=CC=C3N2/N=C\C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c24-23(25)17-6-5-14(27-17)13-19-22-16-4-2-1-3-15(16)20-18(22)28-12-9-21-7-10-26-11-8-21/h1-6,13H,7-12H2/p+1/b19-13-