1-azanyl-3-[azanyl-(triphenylmethyl)sulfanyl-methyl]-3-(triphenylmethyl)sulfanyl-pentan-2-one

Systemtic Name: 1-azanyl-3-[azanyl-(triphenylmethyl)sulfanyl-methyl]-3-(triphenylmethyl)sulfanyl-pentan-2-one Openeye Name: 1-amino-3-[amino(tritylsulfanyl)methyl]-3-tritylsulfanyl-pentan-2-one CAS Name: 1-amino-3-[amino-[(triphenylmethyl)thio]methyl]-3-[(triphenylmethyl)thio]-2-pentanone IUPAC Name: 1-amino-3-[amino(tritylsulfanyl)methyl]-3-tritylsulfanylpentan-2-one Traditional Name: 1-amino-3-[amino-(tritylthio)methyl]-3-(tritylthio)pentan-2-one Formula: C44H42N2OS2 MolecularWeight: 678.94708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(N)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)CN)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(C(N)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)CN)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C44H42N2OS2/c1-2-42(40(47)33-45,49-44(37-27-15-6-16-28-37,38-29-17-7-18-30-38)39-31-19-8-20-32-39)41(46)48-43(34-21-9-3-10-22-34,35-23-11-4-12-24-35)36-25-13-5-14-26-36/h3-32,41H,2,33,45-46H2,1H3