1-(3-methoxy-4H-pyrimidin-2-yl)-N-nitro-N-phenyl-1,2,4-triazole-3-sulfonamide

Systemtic Name: 1-(3-methoxy-4H-pyrimidin-2-yl)-N-nitro-N-phenyl-1,2,4-triazole-3-sulfonamide Openeye Name: 1-(3-methoxy-4H-pyrimidin-2-yl)-N-nitro-N-phenyl-1,2,4-triazole-3-sulfonamide CAS Name: 1-(3-methoxy-4H-pyrimidin-2-yl)-N-nitro-N-phenyl-1,2,4-triazole-3-sulfonamide IUPAC Name: 1-(3-methoxy-4H-pyrimidin-2-yl)-N-nitro-N-phenyl-1,2,4-triazole-3-sulfonamide Traditional Name: 1-(3-methoxy-4H-pyrimidin-2-yl)-N-nitro-N-phenyl-1,2,4-triazole-3-sulfonamide Formula: C13H13N7O5S MolecularWeight: 379.35122

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Descriptors Computed from Structure

Canonical SMILES:

CON1CC=CN=C1N2C=NC(=N2)S(=O)(=O)N(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CON1CC=CN=C1N2C=NC(=N2)S(=O)(=O)N(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O5S/c1-25-18-9-5-8-14-13(18)17-10-15-12(16-17)26(23,24)19(20(21)22)11-6-3-2-4-7-11/h2-8,10H,9H2,1H3