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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,5-dimethylphenyl)-3-veratryl-1H-1,2,4-triazole-5-thione Formula: C19H21N3O2S MolecularWeight: 355.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NNC2=S)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NNC2=S)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O2S/c1-12-5-6-13(2)15(9-12)22-18(20-21-19(22)25)11-14-7-8-16(23-3)17(10-14)24-4/h5-10H,11H2,1-4H3,(H,21,25)