2-[[methyl-(triphenylmethyl)sulfanyl-amino]methyl]benzoic acid

Systemtic Name: 2-[[methyl-(triphenylmethyl)sulfanyl-amino]methyl]benzoic acid Openeye Name: 2-[[methyl(tritylsulfanyl)amino]methyl]benzoic acid CAS Name: 2-[[methyl-[(triphenylmethyl)thio]amino]methyl]benzoic acid IUPAC Name: 2-[[methyl(tritylsulfanyl)amino]methyl]benzoic acid Traditional Name: 2-[[methyl-(tritylthio)amino]methyl]benzoic acid Formula: C28H25NO2S MolecularWeight: 439.5686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO2S/c1-29(21-22-13-11-12-20-26(22)27(30)31)32-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,21H2,1H3,(H,30,31)