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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-ethyl-1,2,4-triazole Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3O2S/c1-2-24-19(10-14-6-4-3-5-7-14)22-23-20(24)27-13-15-11-17-18(12-16(15)21)26-9-8-25-17/h3-7,11-12H,2,8-10,13H2,1H3