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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-(2-fluorophenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C19H16FN3O2S MolecularWeight: 369.412643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F

InChI

InChI=1S/C19H16FN3O2S/c20-15-4-2-1-3-14(15)18-21-22-19(23(18)13-6-7-13)26-10-12-5-8-16-17(9-12)25-11-24-16/h1-5,8-9,13H,6-7,10-11H2