3-azanyl-1-[3-chloranylpropyl-[2-(triphenylmethyl)sulfanylethyl]amino]-4-(triphenylmethyl)sulfanyl-butan-2-one

Systemtic Name: 3-azanyl-1-[3-chloranylpropyl-[2-(triphenylmethyl)sulfanylethyl]amino]-4-(triphenylmethyl)sulfanyl-butan-2-one Openeye Name: 3-amino-1-[3-chloropropyl(2-tritylsulfanylethyl)amino]-4-tritylsulfanyl-butan-2-one CAS Name: 3-amino-1-[3-chloropropyl-[2-[(triphenylmethyl)thio]ethyl]amino]-4-[(triphenylmethyl)thio]-2-butanone IUPAC Name: 3-amino-1-[3-chloropropyl(2-tritylsulfanylethyl)amino]-4-tritylsulfanylbutan-2-one Traditional Name: 3-amino-1-[3-chloropropyl-[2-(tritylthio)ethyl]amino]-4-(tritylthio)butan-2-one Formula: C47H47ClN2OS2 MolecularWeight: 755.47188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN(CCCCl)CC(=O)C(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN(CCCCl)CC(=O)C(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N

InChI

InChI=1S/C47H47ClN2OS2/c48-32-19-33-50(34-35-52-46(38-20-7-1-8-21-38,39-22-9-2-10-23-39)40-24-11-3-12-25-40)36-45(51)44(49)37-53-47(41-26-13-4-14-27-41,42-28-15-5-16-29-42)43-30-17-6-18-31-43/h1-18,20-31,44H,19,32-37,49H2