4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chloro-2,5-dimethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chloro-2,5-dimethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiolate Formula: C15H12ClN4O2S- MolecularWeight: 347.79938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C(=NN=C2[S-])C3=CC=NC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=NN=C2[S-])C3=CC=NC=C3)OC)Cl

InChI

InChI=1S/C15H13ClN4O2S/c1-21-12-8-11(13(22-2)7-10(12)16)20-14(18-19-15(20)23)9-3-5-17-6-4-9/h3-8H,1-2H3,(H,19,23)/p-1