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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-isopropyl-1H-1,2,4-triazole Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C13H14BrN3O2S/c1-7(2)12-15-13(17-16-12)20-5-8-3-10-11(4-9(8)14)19-6-18-10/h3-4,7H,5-6H2,1-2H3,(H,15,16,17)