5,6-bis(4-ethoxyphenyl)-3-octylsulfanyl-1,2,4-triazine

Systemtic Name: 5,6-bis(4-ethoxyphenyl)-3-octylsulfanyl-1,2,4-triazine Openeye Name: 5,6-bis(4-ethoxyphenyl)-3-octylsulfanyl-1,2,4-triazine CAS Name: 5,6-bis(4-ethoxyphenyl)-3-(octylthio)-1,2,4-triazine IUPAC Name: 5,6-bis(4-ethoxyphenyl)-3-octylsulfanyl-1,2,4-triazine Traditional Name: 3-(octylthio)-5,6-bis(p-phenetyl)-1,2,4-triazine Formula: C27H35N3O2S MolecularWeight: 465.6507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=C(N=N1)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCCCSC1=NC(=C(N=N1)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H35N3O2S/c1-4-7-8-9-10-11-20-33-27-28-25(21-12-16-23(17-13-21)31-5-2)26(29-30-27)22-14-18-24(19-15-22)32-6-3/h12-19H,4-11,20H2,1-3H3