5-[2-(4-octadecoxyphenyl)sulfonylethylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[2-(4-octadecoxyphenyl)sulfonylethylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[2-(4-octadecoxyphenyl)sulfonylethylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[2-(4-octadecoxyphenyl)sulfonylethylthio]-1-phenyltetrazole IUPAC Name: 5-[2-(4-octadecoxyphenyl)sulfonylethylsulfanyl]-1-phenyltetrazole Traditional Name: 1-phenyl-5-[2-(4-stearyloxyphenyl)sulfonylethylthio]tetrazole Formula: C33H50N4O3S2 MolecularWeight: 614.9051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)CCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)CCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C33H50N4O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-40-31-23-25-32(26-24-31)42(38,39)29-28-41-33-34-35-36-37(33)30-21-18-17-19-22-30/h17-19,21-26H,2-16,20,27-29H2,1H3