3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H16BrN3O3S/c1-2-3-18-13(19)16-17-14(18)22-8-9-6-11-12(7-10(9)15)21-5-4-20-11/h6-7H,2-5,8H2,1H3,(H,16,19)