5-(3,5-dimethoxyphenyl)-4-(4-ethanoylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3,5-dimethoxyphenyl)-4-(4-ethanoylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-acetylphenyl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-acetylphenyl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-acetylphenyl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-acetylphenyl)-5-(3,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11(22)12-4-6-14(7-5-12)21-17(19-20-18(21)25)13-8-15(23-2)10-16(9-13)24-3/h4-10H,1-3H3,(H,20,25)/p-1