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

Systemtic Name: 4-methyl-3-[(1-methylimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[(1-methylimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(1-methyl-2-imidazolyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(1-methylimidazol-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(1-methylimidazol-2-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C9H10F3N5S MolecularWeight: 277.26941

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CSC2=NN=C(N2C)C(F)(F)F

Isomeric SMILES

CN1C=CN=C1CSC2=NN=C(N2C)C(F)(F)F

InChI

InChI=1S/C9H10F3N5S/c1-16-4-3-13-6(16)5-18-8-15-14-7(17(8)2)9(10,11)12/h3-4H,5H2,1-2H3