3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C13H14BrN3O3S/c1-2-3-17-12(18)15-16-13(17)21-6-8-4-10-11(5-9(8)14)20-7-19-10/h4-5H,2-3,6-7H2,1H3,(H,15,18)