3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-(piperonylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C11H9F3N4O2S MolecularWeight: 318.27497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C11H9F3N4O2S/c12-11(13,14)9-16-17-10(18(9)15)21-4-6-1-2-7-8(3-6)20-5-19-7/h1-3H,4-5,15H2