4-(3,4-dichlorophenyl)-5-(2-phenoxypyridin-3-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3,4-dichlorophenyl)-5-(2-phenoxypyridin-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3,4-dichlorophenyl)-5-(2-phenoxy-3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3,4-dichlorophenyl)-5-(2-phenoxy-3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3,4-dichlorophenyl)-5-(2-phenoxypyridin-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3,4-dichlorophenyl)-5-(2-phenoxy-3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C19H11Cl2N4OS- MolecularWeight: 414.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)[S-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)[S-]

InChI

InChI=1S/C19H12Cl2N4OS/c20-15-9-8-12(11-16(15)21)25-17(23-24-19(25)27)14-7-4-10-22-18(14)26-13-5-2-1-3-6-13/h1-11H,(H,24,27)/p-1