2-[5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyrimidine

Systemtic Name: 2-[5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyrimidine Openeye Name: 2-[5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyrimidine CAS Name: 2-[5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyrimidine IUPAC Name: 2-[5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyrimidine Traditional Name: 2-[5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-mesyl-pyrimidine Formula: C14H9BrF3N5O2S MolecularWeight: 448.21777

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(N=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CN=C(N=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H9BrF3N5O2S/c1-26(24,25)10-6-19-13(20-7-10)23-11(8-2-4-9(15)5-3-8)21-12(22-23)14(16,17)18/h2-7H,1H3