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

Systemtic Name: 4-chloranyl-N2,N2,N6,4-tetrakis(phenylmethylsulfanyl)-1H-1,3,5-triazine-2,6-diamine Openeye Name: N2,N2,N6,4-tetrakis(benzylsulfanyl)-4-chloro-1H-1,3,5-triazine-2,6-diamine CAS Name: N-[6-[bis(phenylmethylthio)amino]-4-chloro-4-(phenylmethylthio)-1H-1,3,5-triazin-2-yl]-1-phenylmethanesulfenamide IUPAC Name: 2-N,2-N,6-N,4-tetrakis(benzylsulfanyl)-4-chloro-1H-1,3,5-triazine-2,6-diamine Traditional Name: bis(benzylthio)-[4-(benzylthio)-6-[(benzylthio)amino]-4-chloro-1H-s-triazin-2-yl]amine Formula: C31H30ClN5S4 MolecularWeight: 636.3164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2(N=C(NC(=N2)N(SCC3=CC=CC=C3)SCC4=CC=CC=C4)NSCC5=CC=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2(N=C(NC(=N2)N(SCC3=CC=CC=C3)SCC4=CC=CC=C4)NSCC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H30ClN5S4/c32-31(38-21-25-13-5-1-6-14-25)34-29(36-39-22-26-15-7-2-8-16-26)33-30(35-31)37(40-23-27-17-9-3-10-18-27)41-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H2,33,34,35,36)