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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-methyl-1,3,4-thiadiazole Formula: C11H9BrN2O2S2 MolecularWeight: 345.23536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C11H9BrN2O2S2/c1-6-13-14-11(18-6)17-4-7-2-9-10(3-8(7)12)16-5-15-9/h2-3H,4-5H2,1H3