5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diphenyl-1,3,5-triazinane-2-thione

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diphenyl-1,3,5-triazinane-2-thione Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diphenyl-1,3,5-triazinane-2-thione CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diphenyl-1,3,5-triazinane-2-thione IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diphenyl-1,3,5-triazinane-2-thione Traditional Name: 5-homoveratryl-1,3-diphenyl-1,3,5-triazinane-2-thione Formula: C25H27N3O2S MolecularWeight: 433.56578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N3O2S/c1-29-23-14-13-20(17-24(23)30-2)15-16-26-18-27(21-9-5-3-6-10-21)25(31)28(19-26)22-11-7-4-8-12-22/h3-14,17H,15-16,18-19H2,1-2H3