4-ethyl-3-naphthalen-1-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-naphthalen-1-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(1-naphthyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(1-naphthalenyl)-5-[[4-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-naphthalen-1-yl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(1-naphthyl)-5-[[4-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C22H18F3N3S MolecularWeight: 413.45863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18F3N3S/c1-2-28-20(19-9-5-7-16-6-3-4-8-18(16)19)26-27-21(28)29-14-15-10-12-17(13-11-15)22(23,24)25/h3-13H,2,14H2,1H3