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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NNC2=S)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H23N3O2S/c1-24-17-10-8-16(14-18(17)25-2)12-13-23-19(21-22-20(23)26)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,22,26)