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

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-methoxy-5-methyl-benzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C12H13F3N4OS MolecularWeight: 318.31803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C12H13F3N4OS/c1-7-3-4-9(20-2)8(5-7)6-21-11-18-17-10(19(11)16)12(13,14)15/h3-5H,6,16H2,1-2H3