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

Systemtic Name: 4-methyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-pyrazol-1-ylbenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C14H12F3N5S MolecularWeight: 339.33879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C(F)(F)F

InChI

InChI=1S/C14H12F3N5S/c1-21-12(14(15,16)17)19-20-13(21)23-9-10-3-5-11(6-4-10)22-8-2-7-18-22/h2-8H,9H2,1H3