5-(5-chloranyl-2-methoxy-phenyl)-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(5-chloro-2-methoxyphenyl)-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C21H15ClN3O2S- MolecularWeight: 408.8807

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)[S-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)[S-]

InChI

InChI=1S/C21H16ClN3O2S/c1-26-19-12-7-14(22)13-18(19)20-23-24-21(28)25(20)15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,24,28)/p-1