4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromophenyl)-4-[(Z)-piperonylideneamino]-1,2,4-triazole-3-thiolate Formula: C16H10BrN4O2S- MolecularWeight: 402.2452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=NN=C3[S-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N\N3C(=NN=C3[S-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H11BrN4O2S/c17-12-4-2-11(3-5-12)15-19-20-16(24)21(15)18-8-10-1-6-13-14(7-10)23-9-22-13/h1-8H,9H2,(H,20,24)/p-1/b18-8-