4-[5-(3-methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(3-methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-isopentyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(3-methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide IUPAC Name: 4-[5-(3-methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-isoamyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide Formula: C14H17F3N4O2S MolecularWeight: 362.37059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

CC(C)CCC1=NC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C14H17F3N4O2S/c1-9(2)3-8-12-19-13(14(15,16)17)20-21(12)10-4-6-11(7-5-10)24(18,22)23/h4-7,9H,3,8H2,1-2H3,(H2,18,22,23)