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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4Br)OCCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4Br)OCCO5

InChI

InChI=1S/C17H18BrN3O2S/c18-13-8-15-14(22-5-6-23-15)7-11(13)9-24-17-20-19-16(10-1-2-10)21(17)12-3-4-12/h7-8,10,12H,1-6,9H2