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

Systemtic Name: 2-[butyl(2-phenylsulfanylethanoyl)amino]-N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[butyl-(2-phenylsulfanylacetyl)amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[butyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[butyl-(2-phenylsulfanylacetyl)amino]-N-[2-(4-methylphenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[butyl-[2-(phenylthio)acetyl]amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C30H32N4O2S MolecularWeight: 512.66568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O2S/c1-3-4-19-33(30(36)22-37-26-13-9-6-10-14-26)21-29(35)31-28-20-27(24-11-7-5-8-12-24)32-34(28)25-17-15-23(2)16-18-25/h5-18,20H,3-4,19,21-22H2,1-2H3,(H,31,35)