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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-3-propyl-1H-1,2,4-triazole-5-thione Formula: C15H21N3O2S MolecularWeight: 307.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCC1=NNC(=S)N1CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H21N3O2S/c1-4-5-14-16-17-15(21)18(14)9-8-11-6-7-12(19-2)13(10-11)20-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)