3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-fluorophenoxy)methyl]-5-(piperonylthio)-1,2,4-triazole Formula: C20H18FN3O3S MolecularWeight: 399.438623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)COC4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O3S/c1-2-9-24-19(11-25-16-6-4-15(21)5-7-16)22-23-20(24)28-12-14-3-8-17-18(10-14)27-13-26-17/h2-8,10H,1,9,11-13H2