3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C13H15F3N4O2S MolecularWeight: 348.34401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2N)C(F)(F)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2N)C(F)(F)F)OC)OC

InChI

InChI=1S/C13H15F3N4O2S/c1-7-4-9(21-2)10(22-3)5-8(7)6-23-12-19-18-11(20(12)17)13(14,15)16/h4-5H,6,17H2,1-3H3