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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 1-(3,4-dimethoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 1-(3,4-dimethoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 1-(3,4-dimethoxyphenyl)-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-(3,4-dimethoxyphenyl)-5-(4-mesylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C18H16F3N3O4S/c1-27-14-9-6-12(10-15(14)28-2)24-16(22-17(23-24)18(19,20)21)11-4-7-13(8-5-11)29(3,25)26/h4-10H,1-3H3