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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-phenyl-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)CSC3=NN=C(O3)C4=CC=CC=C4)Br

Isomeric SMILES

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

InChI

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