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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-[3-(methylthio)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[3-(methylthio)phenyl]-3-veratryl-1H-1,2,4-triazole-5-thione Formula: C18H19N3O2S2 MolecularWeight: 373.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C18H19N3O2S2/c1-22-15-8-7-12(9-16(15)23-2)10-17-19-20-18(24)21(17)13-5-4-6-14(11-13)25-3/h4-9,11H,10H2,1-3H3,(H,20,24)