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

Systemtic Name: 3-cyclohexyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-cyclohexyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclohexyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-cyclohexyl-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-cyclohexyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C19H22F3N3S MolecularWeight: 381.45829

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3CCCCC3

InChI

InChI=1S/C19H22F3N3S/c1-2-11-25-17(15-8-4-3-5-9-15)23-24-18(25)26-13-14-7-6-10-16(12-14)19(20,21)22/h2,6-7,10,12,15H,1,3-5,8-9,11,13H2