1,3-bis(4-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione

Systemtic Name: 1,3-bis(4-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione Openeye Name: 1,3-bis(4-ethoxyphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinane-2-thione CAS Name: 1,3-bis(4-ethoxyphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinane-2-thione IUPAC Name: 1,3-bis(4-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione Traditional Name: 1,3-bis(p-phenetyl)-5-(3-pyridylmethyl)-1,3,5-triazinane-2-thione Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CN(CN(C2=S)C3=CC=C(C=C3)OCC)CC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CN(CN(C2=S)C3=CC=C(C=C3)OCC)CC4=CN=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-3-30-23-11-7-21(8-12-23)28-18-27(17-20-6-5-15-26-16-20)19-29(25(28)32)22-9-13-24(14-10-22)31-4-2/h5-16H,3-4,17-19H2,1-2H3