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

Systemtic Name: 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyrimidine Openeye Name: 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyrimidine CAS Name: 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyrimidine IUPAC Name: 2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyrimidine Traditional Name: 5-mesyl-2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrimidine Formula: C15H12F3N5O3S MolecularWeight: 399.34769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2C3=NC=C(C=N3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2C3=NC=C(C=N3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O3S/c1-26-10-5-3-9(4-6-10)12-21-13(15(16,17)18)22-23(12)14-19-7-11(8-20-14)27(2,24)25/h3-8H,1-2H3