6-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-3-nitro-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 6-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-3-nitro-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 6-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-3-nitro-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-nitro-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-nitrothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 6-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-3-nitro-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=C3C(=CSC3=N2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=C3C(=CSC3=N2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C15H14N4O5S/c1-6(2)15(3)14(22)17-11(18-15)10-8(13(20)21)4-7-9(19(23)24)5-25-12(7)16-10/h4-6H,1-3H3,(H,20,21)(H,17,18,22)