2-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-bromobenzyl)thio]-1,3,4-oxadiazole Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C16H11BrN2O3S/c17-12-3-1-2-10(6-12)8-23-16-19-18-15(22-16)11-4-5-13-14(7-11)21-9-20-13/h1-7H,8-9H2