2-[[4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-3-pyrazolyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5OS/c1-3-27-19(13-15(2)26-27)21-24-25-22(28(21)18-11-9-17(23)10-12-18)30-14-20(29)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3