4-(4-tert-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-tert-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-tert-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-tert-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-tert-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-tert-butylphenyl)-3-veratryl-1H-1,2,4-triazole-5-thione Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)15-7-9-16(10-8-15)24-19(22-23-20(24)27)13-14-6-11-17(25-4)18(12-14)26-5/h6-12H,13H2,1-5H3,(H,23,27)