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

Systemtic Name: 5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-methylsulfonyl-pyridine Openeye Name: 5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-methylsulfonyl-pyridine CAS Name: 5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-methylsulfonylpyridine IUPAC Name: 5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-methylsulfonylpyridine Traditional Name: 2-mesyl-5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine Formula: C16H13F3N4O3S MolecularWeight: 398.35963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2C3=CN=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2C3=CN=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O3S/c1-26-12-6-3-10(4-7-12)14-21-15(16(17,18)19)22-23(14)11-5-8-13(20-9-11)27(2,24)25/h3-9H,1-2H3