3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H11N3O2S MolecularWeight: 297.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C15H11N3O2S/c21-15-17-16-14(18(15)11-4-2-1-3-5-11)10-6-7-12-13(8-10)20-9-19-12/h1-8H,9H2,(H,17,21)