1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,3,5-triazin-2-yl)propane-1,3-dione

Systemtic Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,3,5-triazin-2-yl)propane-1,3-dione Openeye Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,3,5-triazin-2-yl)propane-1,3-dione CAS Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(1,3,5-triazin-2-yl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(1,3,5-triazin-2-yl)propane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-2-nitro-phenyl)-2-(s-triazin-2-yl)propane-1,3-dione Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC=NC=N2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC=NC=N2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S/c1-27(25,26)10-4-5-11(12(6-10)20(23)24)15(22)13(14(21)9-2-3-9)16-18-7-17-8-19-16/h4-9,13H,2-3H2,1H3