2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-1,3,4-thiadiazole Formula: C12H11BrN2O2S2 MolecularWeight: 359.26194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C12H11BrN2O2S2/c1-7-14-15-12(19-7)18-6-8-4-10-11(5-9(8)13)17-3-2-16-10/h4-5H,2-3,6H2,1H3