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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-4-(o-tolyl)-1,2,4-triazole Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)C

InChI

InChI=1S/C19H18BrN3O2S/c1-12-5-3-4-6-16(12)23-13(2)21-22-19(23)26-11-14-9-17-18(10-15(14)20)25-8-7-24-17/h3-6,9-10H,7-8,11H2,1-2H3