1-(4,6-dimethoxypyrimidin-2-yl)-N-(2-nitro-6-prop-2-ynoxy-phenyl)-1,2,4-triazole-3-sulfonamide

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-N-(2-nitro-6-prop-2-ynoxy-phenyl)-1,2,4-triazole-3-sulfonamide Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-N-(2-nitro-6-prop-2-ynoxy-phenyl)-1,2,4-triazole-3-sulfonamide CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-N-(2-nitro-6-prop-2-ynoxyphenyl)-1,2,4-triazole-3-sulfonamide IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-N-(2-nitro-6-prop-2-ynoxyphenyl)-1,2,4-triazole-3-sulfonamide Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-N-(2-nitro-6-propargyloxy-phenyl)-1,2,4-triazole-3-sulfonamide Formula: C17H15N7O7S MolecularWeight: 461.4087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C=NC(=N2)S(=O)(=O)NC3=C(C=CC=C3OCC#C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C=NC(=N2)S(=O)(=O)NC3=C(C=CC=C3OCC#C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N7O7S/c1-4-8-31-12-7-5-6-11(24(25)26)15(12)22-32(27,28)17-18-10-23(21-17)16-19-13(29-2)9-14(20-16)30-3/h1,5-7,9-10,22H,8H2,2-3H3