4-(4-ethoxyphenyl)-3-octadecylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-octadecylsulfanyl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-octadecylsulfanyl-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(octadecylthio)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-octadecylsulfanyl-1,2,4-triazole Traditional Name: 4-p-phenetyl-3-(stearylthio)-1,2,4-triazole Formula: C28H47N3OS MolecularWeight: 473.75728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=CN1C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=CN1C2=CC=C(C=C2)OCC

InChI

InChI=1S/C28H47N3OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-28-30-29-25-31(28)26-20-22-27(23-21-26)32-4-2/h20-23,25H,3-19,24H2,1-2H3