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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-propyl-1H-1,2,4-triazole Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H16BrN3O2S/c1-2-3-13-16-14(18-17-13)21-8-9-6-11-12(7-10(9)15)20-5-4-19-11/h6-7H,2-5,8H2,1H3,(H,16,17,18)