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

Systemtic Name: 4-methyl-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-isopropyl-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-isopropyl-4-methyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C14H16F3N3S MolecularWeight: 315.35715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H16F3N3S/c1-9(2)12-18-19-13(20(12)3)21-8-10-5-4-6-11(7-10)14(15,16)17/h4-7,9H,8H2,1-3H3