4-chloranyl-N2,N2,N6,4-tetrakis(1-phenylethylsulfanyl)-1H-1,3,5-triazine-2,6-diamine

Systemtic Name: 4-chloranyl-N2,N2,N6,4-tetrakis(1-phenylethylsulfanyl)-1H-1,3,5-triazine-2,6-diamine Openeye Name: 4-chloro-N2,N2,N6,4-tetrakis(1-phenylethylsulfanyl)-1H-1,3,5-triazine-2,6-diamine CAS Name: N-[6-[bis(1-phenylethylthio)amino]-4-chloro-4-(1-phenylethylthio)-1H-1,3,5-triazin-2-yl]-1-phenylethanesulfenamide IUPAC Name: 4-chloro-2-N,2-N,6-N,4-tetrakis(1-phenylethylsulfanyl)-1H-1,3,5-triazine-2,6-diamine Traditional Name: [4-chloro-4-(1-phenylethylthio)-6-[(1-phenylethylthio)amino]-1H-s-triazin-2-yl]-bis(1-phenylethylthio)amine Formula: C35H38ClN5S4 MolecularWeight: 692.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2(N=C(NC(=N2)N(SC(C)C3=CC=CC=C3)SC(C)C4=CC=CC=C4)NSC(C)C5=CC=CC=C5)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)SC2(N=C(NC(=N2)N(SC(C)C3=CC=CC=C3)SC(C)C4=CC=CC=C4)NSC(C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C35H38ClN5S4/c1-25(29-17-9-5-10-18-29)42-35(36)38-33(40-43-26(2)30-19-11-6-12-20-30)37-34(39-35)41(44-27(3)31-21-13-7-14-22-31)45-28(4)32-23-15-8-16-24-32/h5-28H,1-4H3,(H2,37,38,39,40)