2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3,4-oxadiazole Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(O3)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(O3)CC4=CC=CC=C4

InChI

InChI=1S/C18H15BrN2O3S/c19-14-10-16-15(22-6-7-23-16)9-13(14)11-25-18-21-20-17(24-18)8-12-4-2-1-3-5-12/h1-5,9-10H,6-8,11H2