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

Systemtic Name: 5-(4-tert-butylphenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-tert-butylphenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C20H22N3O2S- MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)OC)OC)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)OC)OC)[S-]

InChI

InChI=1S/C20H23N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18-21-22-19(26)23(18)16-11-10-15(24-4)12-17(16)25-5/h6-12H,1-5H3,(H,22,26)/p-1