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

Systemtic Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2-ethyl-5-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5OS/c1-3-26-19(14-16(2)25-26)21-23-24-22(27(21)18-12-8-5-9-13-18)29-15-20(28)17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3