N,N-diethyl-3-nitro-4-pyrimidin-2-ylsulfanyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-pyrimidin-2-ylsulfanyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-pyrimidin-2-ylsulfanyl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(2-pyrimidinylthio)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-pyrimidin-2-ylsulfanylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(2-pyrimidylthio)benzenesulfonamide Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4S2/c1-3-17(4-2)24(21,22)11-6-7-13(12(10-11)18(19)20)23-14-15-8-5-9-16-14/h5-10H,3-4H2,1-2H3