3-(4-tert-butylphenyl)-5-dodecylsulfanyl-4-(furan-2-yl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-dodecylsulfanyl-4-(furan-2-yl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-dodecylsulfanyl-4-(2-furyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(dodecylthio)-4-(2-furanyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-dodecylsulfanyl-4-(furan-2-yl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(2-furyl)-5-(laurylthio)-1,2,4-triazole Formula: C28H41N3OS MolecularWeight: 467.70964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(N1C2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(N1C2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H41N3OS/c1-5-6-7-8-9-10-11-12-13-14-22-33-27-30-29-26(31(27)25-16-15-21-32-25)23-17-19-24(20-18-23)28(2,3)4/h15-21H,5-14,22H2,1-4H3