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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H13BrN2O3S/c1-10-3-2-4-11(5-10)16-19-20-17(23-16)24-8-12-6-14-15(7-13(12)18)22-9-21-14/h2-7H,8-9H2,1H3