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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-ethyl-1,2,4-triazole Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4CC4

InChI

InChI=1S/C16H18BrN3O2S/c1-2-20-15(10-3-4-10)18-19-16(20)23-9-11-7-13-14(8-12(11)17)22-6-5-21-13/h7-8,10H,2-6,9H2,1H3