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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H20BrN3O3S/c1-3-24-19(14-6-4-5-7-16(14)25-2)22-23-20(24)28-12-13-10-17-18(11-15(13)21)27-9-8-26-17/h4-7,10-11H,3,8-9,12H2,1-2H3