3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-pyrazole

Systemtic Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-pyrazole Openeye Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-pyrazole CAS Name: 3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-4-[(4-nitrophenyl)thio]pyrazole IUPAC Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(2-nitrophenyl)sulfonylpyrazole Traditional Name: 3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-4-[(4-nitrophenyl)thio]pyrazole Formula: C17H14N4O6S2 MolecularWeight: 434.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S2/c1-11-17(28-14-9-7-13(8-10-14)20(22)23)12(2)19(18-11)29(26,27)16-6-4-3-5-15(16)21(24)25/h3-10H,1-2H3