3-[(3-bromanylphenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3-bromophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-bromophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-bromophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3-bromophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=CC(=CC=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C17H14BrN3O3S/c18-11-2-1-3-13(8-11)24-10-16-19-20-17(25)21(16)12-4-5-14-15(9-12)23-7-6-22-14/h1-5,8-9H,6-7,10H2,(H,20,25)