4-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-bromophenyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C16H12BrN3O2S MolecularWeight: 390.25438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC(=CC=C4)Br

InChI

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