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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H18BrN3O3S/c1-3-23-18(12-4-6-14(24-2)7-5-12)21-22-19(23)27-10-13-8-16-17(9-15(13)20)26-11-25-16/h4-9H,3,10-11H2,1-2H3