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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,5-dimethoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,5-dimethoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,5-dimethoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Formula: C19H16N5O2S- MolecularWeight: 378.42764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O2S/c1-25-13-8-9-17(26-2)16(10-13)24-18(22-23-19(24)27)15-11-14(20-21-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)(H,23,27)/p-1