4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Formula: C13H12N5O2S- MolecularWeight: 302.33168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])C3=CC=NN3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])C3=CC=NN3

InChI

InChI=1S/C13H13N5O2S/c1-19-8-3-4-11(20-2)10(7-8)18-12(16-17-13(18)21)9-5-6-14-15-9/h3-7H,1-2H3,(H,14,15)(H,17,21)/p-1