4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrazinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Formula: C14H10N5O2S- MolecularWeight: 312.3265

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=NC=CN=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=NC=CN=C4

InChI

InChI=1S/C14H11N5O2S/c22-14-18-17-13(10-8-15-3-4-16-10)19(14)9-1-2-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,18,22)/p-1