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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C17H15ClN3O3S- MolecularWeight: 376.8373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-22-11-5-7-15(24-3)13(9-11)21-16(19-20-17(21)25)12-8-10(18)4-6-14(12)23-2/h4-9H,1-3H3,(H,20,25)/p-1