N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C16H14N6O6S MolecularWeight: 418.38396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O6S/c1-19-12-5-10(11(22(27)28)6-13(12)20(2)16(19)24)18-14(23)8-29-15-4-3-9(7-17-15)21(25)26/h3-7H,8H2,1-2H3,(H,18,23)