4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]aniline

Systemtic Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]aniline Openeye Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]aniline CAS Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]aniline IUPAC Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]aniline Traditional Name: [4-[5-(4-mesylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]amine Formula: C16H13F3N4O2S MolecularWeight: 382.36023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)N)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O2S/c1-26(24,25)13-8-2-10(3-9-13)14-21-15(16(17,18)19)22-23(14)12-6-4-11(20)5-7-12/h2-9H,20H2,1H3