2-[butyl(2-phenylsulfanylethanoyl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[butyl(2-phenylsulfanylethanoyl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[butyl-(2-phenylsulfanylacetyl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[butyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[butyl-(2-phenylsulfanylacetyl)amino]-N-[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[butyl-[2-(phenylthio)acetyl]amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]acetamide Formula: C29H29FN4O2S MolecularWeight: 516.629563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C29H29FN4O2S/c1-2-3-18-33(29(36)21-37-25-12-8-5-9-13-25)20-28(35)31-27-19-26(22-10-6-4-7-11-22)32-34(27)24-16-14-23(30)15-17-24/h4-17,19H,2-3,18,20-21H2,1H3,(H,31,35)