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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-homoveratryl-1H-1,2,4-triazole-5-thione Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O2S/c1-22(2,3)17-9-7-16(8-10-17)20-23-24-21(28)25(20)13-12-15-6-11-18(26-4)19(14-15)27-5/h6-11,14H,12-13H2,1-5H3,(H,24,28)