2-methyl-5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-methyl-5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-methyl-5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-methyl-5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-methyl-5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-methyl-5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione Formula: C13H14F3N3O3S MolecularWeight: 349.32877

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C(F)(F)F)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CN1C(=S)N(C(=N1)C(F)(F)F)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C13H14F3N3O3S/c1-18-12(23)19(11(17-18)13(14,15)16)7-5-8(20-2)10(22-4)9(6-7)21-3/h5-6H,1-4H3