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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C15H10N3O2S- MolecularWeight: 296.3238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-]

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)/p-1