3-[(7-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole

Systemtic Name: 3-[(7-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylthio]-5-propyl-1H-1,2,4-triazole Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C13H14BrN3O2S/c1-2-3-11-15-13(17-16-11)20-6-8-4-9(14)12-10(5-8)18-7-19-12/h4-5H,2-3,6-7H2,1H3,(H,15,16,17)