1-[1-hexadecylsulfanyl-3-(triphenylmethyl)oxy-propan-2-yl]-5-methyl-1,2,3,4-tetrazole

Systemtic Name: 1-[1-hexadecylsulfanyl-3-(triphenylmethyl)oxy-propan-2-yl]-5-methyl-1,2,3,4-tetrazole Openeye Name: 1-[1-(hexadecylsulfanylmethyl)-2-trityloxy-ethyl]-5-methyl-tetrazole CAS Name: 1-[1-(hexadecylthio)-3-(triphenylmethyl)oxypropan-2-yl]-5-methyltetrazole IUPAC Name: 1-(1-hexadecylsulfanyl-3-trityloxypropan-2-yl)-5-methyltetrazole Traditional Name: 1-[1-[(cetylthio)methyl]-2-trityloxy-ethyl]-5-methyl-tetrazole Formula: C40H56N4OS MolecularWeight: 640.96384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=NN=N4)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=NN=N4)C

InChI

InChI=1S/C40H56N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-46-34-39(44-35(2)41-42-43-44)33-45-40(36-26-19-16-20-27-36,37-28-21-17-22-29-37)38-30-23-18-24-31-38/h16-24,26-31,39H,3-15,25,32-34H2,1-2H3