2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl chloride

Systemtic Name: 2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl chloride Openeye Name: 4-isopropyl-2-methyl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl chloride CAS Name: 2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl chloride IUPAC Name: 2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl chloride Traditional Name: 4-isopropyl-2-methyl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonyl chloride Formula: C13H13ClF3N3O2S MolecularWeight: 367.77443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(C)C)N2C=NC(=N2)C(F)(F)F)S(=O)(=O)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C(C)C)N2C=NC(=N2)C(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C13H13ClF3N3O2S/c1-7(2)9-4-8(3)11(23(14,21)22)5-10(9)20-6-18-12(19-20)13(15,16)17/h4-7H,1-3H3