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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H18BrN3O2S/c1-13-21-22-19(23(13)11-14-5-3-2-4-6-14)26-12-15-9-17-18(10-16(15)20)25-8-7-24-17/h2-6,9-10H,7-8,11-12H2,1H3