5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Formula: C16H14N5O2S- MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=NN=C(N3C4=CC5=C(C=C4)OCCO5)[S-]

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=NN=C(N3C4=CC5=C(C=C4)OCCO5)[S-]

InChI

InChI=1S/C16H15N5O2S/c24-16-20-19-15(12-8-11(17-18-12)9-1-2-9)21(16)10-3-4-13-14(7-10)23-6-5-22-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,20,24)/p-1