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

Systemtic Name: 2-[5-(3-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyridine Openeye Name: 2-[5-(3-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonyl-pyridine CAS Name: 2-[5-(3-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine IUPAC Name: 2-[5-(3-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine Traditional Name: 5-mesyl-2-[5-(3-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=CC(=C1)C2=NC(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

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

InChI

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