3-(phenylmethylsulfanyl)-4-[2-(trifluoromethyl)phenyl]-5-undecyl-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-4-[2-(trifluoromethyl)phenyl]-5-undecyl-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-[2-(trifluoromethyl)phenyl]-5-undecyl-1,2,4-triazole CAS Name: 3-(phenylmethylthio)-4-[2-(trifluoromethyl)phenyl]-5-undecyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-[2-(trifluoromethyl)phenyl]-5-undecyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-[2-(trifluoromethyl)phenyl]-5-undecyl-1,2,4-triazole Formula: C27H34F3N3S MolecularWeight: 489.63917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2C(F)(F)F)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2C(F)(F)F)SCC3=CC=CC=C3

InChI

InChI=1S/C27H34F3N3S/c1-2-3-4-5-6-7-8-9-13-20-25-31-32-26(34-21-22-16-11-10-12-17-22)33(25)24-19-15-14-18-23(24)27(28,29)30/h10-12,14-19H,2-9,13,20-21H2,1H3