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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H18BrN3O3S/c1-23-18(12-3-5-14(24-2)6-4-12)21-22-19(23)27-11-13-9-16-17(10-15(13)20)26-8-7-25-16/h3-6,9-10H,7-8,11H2,1-2H3