3-[bis(fluoranyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[bis(fluoranyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(difluoromethylsulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(difluoromethylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(difluoromethylsulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(difluoromethylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C10H10F2N4OS MolecularWeight: 272.274406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SC(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SC(F)F

InChI

InChI=1S/C10H10F2N4OS/c1-17-7-4-2-6(3-5-7)8-14-15-10(16(8)13)18-9(11)12/h2-5,9H,13H2,1H3