3-tert-butyl-4-(furan-2-yl)-5-octadecylsulfanyl-1,2,4-triazole

Systemtic Name: 3-tert-butyl-4-(furan-2-yl)-5-octadecylsulfanyl-1,2,4-triazole Openeye Name: 3-tert-butyl-4-(2-furyl)-5-octadecylsulfanyl-1,2,4-triazole CAS Name: 3-tert-butyl-4-(2-furanyl)-5-(octadecylthio)-1,2,4-triazole IUPAC Name: 3-tert-butyl-4-(furan-2-yl)-5-octadecylsulfanyl-1,2,4-triazole Traditional Name: 3-tert-butyl-4-(2-furyl)-5-(stearylthio)-1,2,4-triazole Formula: C28H49N3OS MolecularWeight: 475.77316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=CO2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=CO2)C(C)(C)C

InChI

InChI=1S/C28H49N3OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-27-30-29-26(28(2,3)4)31(27)25-22-21-23-32-25/h21-23H,5-20,24H2,1-4H3