3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O2S/c17-11-3-1-10(2-4-11)15-18-19-16(23)20(15)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9H,7-8H2,(H,19,23)