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

Systemtic Name: 3-cyclopentyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-cyclopentyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopentyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopentyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-cyclopentyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C18H20F3N3S MolecularWeight: 367.43171

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3CCCC3

InChI

InChI=1S/C18H20F3N3S/c1-2-10-24-16(14-7-3-4-8-14)22-23-17(24)25-12-13-6-5-9-15(11-13)18(19,20)21/h2,5-6,9,11,14H,1,3-4,7-8,10,12H2