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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,3,4-oxadiazole Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(O3)CC4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(O3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C17H13BrN2O3S/c18-13-8-15-14(21-10-22-15)7-12(13)9-24-17-20-19-16(23-17)6-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2