6-dodecylsulfanyl-N2,N4-bis(4-phenylazanylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-dodecylsulfanyl-N2,N4-bis(4-phenylazanylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2,N4-bis(4-anilinophenyl)-6-dodecylsulfanyl-1,3,5-triazine-2,4-diamine CAS Name: N2,N4-bis(4-anilinophenyl)-6-(dodecylthio)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N,4-N-bis(4-anilinophenyl)-6-dodecylsulfanyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-(4-anilinoanilino)-6-(laurylthio)-s-triazin-2-yl]-(4-anilinophenyl)amine Formula: C39H47N7S MolecularWeight: 645.90238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=N1)NC2=CC=C(C=C2)NC3=CC=CC=C3)NC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=N1)NC2=CC=C(C=C2)NC3=CC=CC=C3)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C39H47N7S/c1-2-3-4-5-6-7-8-9-10-17-30-47-39-45-37(42-35-26-22-33(23-27-35)40-31-18-13-11-14-19-31)44-38(46-39)43-36-28-24-34(25-29-36)41-32-20-15-12-16-21-32/h11-16,18-29,40-41H,2-10,17,30H2,1H3,(H2,42,43,44,45,46)