2-[bis[(4-methylsulfanylphenyl)methyl]amino]-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: 2-[bis[(4-methylsulfanylphenyl)methyl]amino]-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: 2-[bis[(4-methylsulfanylphenyl)methyl]amino]-1-(4-nitrophenyl)propane-1,3-diol CAS Name: 2-[bis[[4-(methylthio)phenyl]methyl]amino]-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: 2-[bis[(4-methylsulfanylphenyl)methyl]amino]-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: 2-[bis[4-(methylthio)benzyl]amino]-1-(4-nitrophenyl)propane-1,3-diol Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)SC)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CSC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)SC)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C25H28N2O4S2/c1-32-22-11-3-18(4-12-22)15-26(16-19-5-13-23(33-2)14-6-19)24(17-28)25(29)20-7-9-21(10-8-20)27(30)31/h3-14,24-25,28-29H,15-17H2,1-2H3