2-(1-methyl-5-nitro-imidazol-1-ium-1-yl)-1,3-thiazole-4-carbaldehyde

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-1-ium-1-yl)-1,3-thiazole-4-carbaldehyde Openeye Name: 2-(1-methyl-5-nitro-imidazol-1-ium-1-yl)thiazole-4-carbaldehyde CAS Name: 2-(1-methyl-5-nitro-1-imidazol-1-iumyl)-4-thiazolecarboxaldehyde IUPAC Name: 2-(1-methyl-5-nitroimidazol-1-ium-1-yl)-1,3-thiazole-4-carbaldehyde Traditional Name: 2-(1-methyl-5-nitro-imidazol-1-ium-1-yl)thiazole-4-carbaldehyde Formula: C8H7N4O3S+ MolecularWeight: 239.23118

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NC=C1[N+](=O)[O-])C2=NC(=CS2)C=O

Isomeric SMILES

C[N+]1(C=NC=C1[N+](=O)[O-])C2=NC(=CS2)C=O

InChI

InChI=1S/C8H7N4O3S/c1-12(5-9-2-7(12)11(14)15)8-10-6(3-13)4-16-8/h2-5H,1H3/q+1