3-[5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonyl-pyridazine

Systemtic Name: 3-[5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonyl-pyridazine Openeye Name: 3-methylsulfonyl-6-[5-(p-tolyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine CAS Name: 3-[5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine IUPAC Name: 3-[5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine Traditional Name: 3-mesyl-6-[5-(p-tolyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine Formula: C15H12F3N5O2S MolecularWeight: 383.34829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=NN=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=NN=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O2S/c1-9-3-5-10(6-4-9)13-19-14(15(16,17)18)22-23(13)11-7-8-12(21-20-11)26(2,24)25/h3-8H,1-2H3