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

Systemtic Name: 3-methyl-4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-4-phenyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C17H14F3N3S MolecularWeight: 349.37337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3S/c1-12-21-22-16(23(12)15-8-3-2-4-9-15)24-11-13-6-5-7-14(10-13)17(18,19)20/h2-10H,11H2,1H3