2-[4-(4-methylsulfonyl-2-nitro-phenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-pyrazolyl]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine Formula: C15H10F3N5O4S MolecularWeight: 413.33121

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CN(N=C2)C3=NC=CC(=N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CN(N=C2)C3=NC=CC(=N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H10F3N5O4S/c1-28(26,27)10-2-3-11(12(6-10)23(24)25)9-7-20-22(8-9)14-19-5-4-13(21-14)15(16,17)18/h2-8H,1H3