3-[(3-chlorophenyl)methylsulfanyl]-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine CAS Name: 3-[(3-chlorophenyl)methylthio]-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine Traditional Name: 3-[(3-chlorobenzyl)thio]-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine Formula: C28H28ClN3O6S MolecularWeight: 570.05642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N=NC(=N2)SCC3=CC(=CC=C3)Cl)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=NC(=N2)SCC3=CC(=CC=C3)Cl)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C28H28ClN3O6S/c1-33-20-11-17(12-21(34-2)26(20)37-5)24-25(18-13-22(35-3)27(38-6)23(14-18)36-4)31-32-28(30-24)39-15-16-8-7-9-19(29)10-16/h7-14H,15H2,1-6H3