4-azanyl-3-(triphenylmethyl)sulfanyl-1-[2-(triphenylmethyl)sulfanylethylamino]butan-2-one

Systemtic Name: 4-azanyl-3-(triphenylmethyl)sulfanyl-1-[2-(triphenylmethyl)sulfanylethylamino]butan-2-one Openeye Name: 4-amino-3-tritylsulfanyl-1-(2-tritylsulfanylethylamino)butan-2-one CAS Name: 4-amino-3-[(triphenylmethyl)thio]-1-[2-[(triphenylmethyl)thio]ethylamino]-2-butanone IUPAC Name: 4-amino-3-tritylsulfanyl-1-(2-tritylsulfanylethylamino)butan-2-one Traditional Name: 4-amino-3-(tritylthio)-1-[2-(tritylthio)ethylamino]butan-2-one Formula: C44H42N2OS2 MolecularWeight: 678.94708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H42N2OS2/c45-33-42(49-44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)41(47)34-46-31-32-48-43(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37/h1-30,42,46H,31-34,45H2