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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-(2-pyrazinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Formula: C13H8N5O2S- MolecularWeight: 298.29992

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NN=C3[S-])C4=NC=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NN=C3[S-])C4=NC=CN=C4

InChI

InChI=1S/C13H9N5O2S/c21-13-17-16-12(9-6-14-3-4-15-9)18(13)8-1-2-10-11(5-8)20-7-19-10/h1-6H,7H2,(H,17,21)/p-1