3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 4-(2-fluorophenyl)-3-(piperonylthio)-1,2,4-triazole Formula: C16H12FN3O2S MolecularWeight: 329.348783

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=CN3C4=CC=CC=C4F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=CN3C4=CC=CC=C4F

InChI

InChI=1S/C16H12FN3O2S/c17-12-3-1-2-4-13(12)20-9-18-19-16(20)23-8-11-5-6-14-15(7-11)22-10-21-14/h1-7,9H,8,10H2