4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC(=CC(=N2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC(=CC(=N2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S2/c1-5-19(6-2)26(23,24)13-7-8-15(14(10-13)20(21)22)25-16-17-11(3)9-12(4)18-16/h7-10H,5-6H2,1-4H3