N4-[4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]-N1-phenyl-benzene-1,4-diamine

Systemtic Name: N4-[4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-[4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[4,6-bis(dodecylthio)-1,3,5-triazin-2-yl]-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-[4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-[4,6-bis(laurylthio)-s-triazin-2-yl]amine Formula: C39H61N5S2 MolecularWeight: 664.06514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=N1)NC2=CC=C(C=C2)NC3=CC=CC=C3)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=N1)NC2=CC=C(C=C2)NC3=CC=CC=C3)SCCCCCCCCCCCC

InChI

InChI=1S/C39H61N5S2/c1-3-5-7-9-11-13-15-17-19-24-32-45-38-42-37(41-36-30-28-35(29-31-36)40-34-26-22-21-23-27-34)43-39(44-38)46-33-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-31,40H,3-20,24-25,32-33H2,1-2H3,(H,41,42,43,44)