5-(1-benzofuran-2-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 5-(1-benzofuran-2-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-(benzofuran-2-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(2-benzofuranyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-(1-benzofuran-2-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 5-(benzofuran-2-yl)-1-(4-mesylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H12F3N3O3S/c1-28(25,26)13-8-6-12(7-9-13)24-16(22-17(23-24)18(19,20)21)15-10-11-4-2-3-5-14(11)27-15/h2-10H,1H3