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

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C20H16F3N5S MolecularWeight: 415.43475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H16F3N5S/c1-27-18(20(21,22)23)24-25-19(27)29-13-15-12-28(16-10-6-3-7-11-16)26-17(15)14-8-4-2-5-9-14/h2-12H,13H2,1H3