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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-fluorophenyl)-4-phenyl-5-(piperonylthio)-1,2,4-triazole Formula: C22H16FN3O2S MolecularWeight: 405.444743

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C22H16FN3O2S/c23-17-6-4-5-16(12-17)21-24-25-22(26(21)18-7-2-1-3-8-18)29-13-15-9-10-19-20(11-15)28-14-27-19/h1-12H,13-14H2