3-(2-methylsulfanyl-5-nitro-phenyl)-1-methylsulfonyl-pyrazole

Systemtic Name: 3-(2-methylsulfanyl-5-nitro-phenyl)-1-methylsulfonyl-pyrazole Openeye Name: 3-(2-methylsulfanyl-5-nitro-phenyl)-1-methylsulfonyl-pyrazole CAS Name: 1-methylsulfonyl-3-[2-(methylthio)-5-nitrophenyl]pyrazole IUPAC Name: 3-(2-methylsulfanyl-5-nitrophenyl)-1-methylsulfonylpyrazole Traditional Name: 1-mesyl-3-[2-(methylthio)-5-nitro-phenyl]pyrazole Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)[N+](=O)[O-])C2=NN(C=C2)S(=O)(=O)C

Isomeric SMILES

CSC1=C(C=C(C=C1)[N+](=O)[O-])C2=NN(C=C2)S(=O)(=O)C

InChI

InChI=1S/C11H11N3O4S2/c1-19-11-4-3-8(14(15)16)7-9(11)10-5-6-13(12-10)20(2,17)18/h3-7H,1-2H3