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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,5-dimethyl-1,2,4-triazole Formula: C12H12BrN3O2S MolecularWeight: 342.21158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C12H12BrN3O2S/c1-7-14-15-12(16(7)2)19-5-8-3-10-11(4-9(8)13)18-6-17-10/h3-4H,5-6H2,1-2H3