3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazole CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazole Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C23H19N3O2S/c1-3-9-17(10-4-1)16-29-23-25-24-22(26(23)18-11-5-2-6-12-18)21-15-27-19-13-7-8-14-20(19)28-21/h1-14,21H,15-16H2