3-phenethyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-phenethyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-phenethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-phenethyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-phenethyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-phenethyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C21H20F3N3S MolecularWeight: 403.46381

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C21H20F3N3S/c1-2-13-27-19(12-11-16-7-4-3-5-8-16)25-26-20(27)28-15-17-9-6-10-18(14-17)21(22,23)24/h2-10,14H,1,11-13,15H2