4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1,2,4-triazole-3-thiolate Formula: C15H9BrN3O2S- MolecularWeight: 375.21986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN3O2S/c16-10-3-1-9(2-4-10)14-17-18-15(22)19(14)11-5-6-12-13(7-11)21-8-20-12/h1-7H,8H2,(H,18,22)/p-1