N-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-1,2,3-triazole-1-carboxamide

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-1,2,3-triazole-1-carboxamide Openeye Name: N-(4-methylsulfonyl-2-nitro-benzoyl)triazole-1-carboxamide CAS Name: N-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]-1-triazolecarboxamide IUPAC Name: N-(4-methylsulfonyl-2-nitrobenzoyl)triazole-1-carboxamide Traditional Name: N-(4-mesyl-2-nitro-benzoyl)triazole-1-carboxamide Formula: C11H9N5O6S MolecularWeight: 339.28406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC(=O)N2C=CN=N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC(=O)N2C=CN=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O6S/c1-23(21,22)7-2-3-8(9(6-7)16(19)20)10(17)13-11(18)15-5-4-12-14-15/h2-6H,1H3,(H,13,17,18)