2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-[[2-(morpholinomethyl)phenyl]methyl]acetamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-N-[[2-(4-morpholinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-[2-(morpholinomethyl)benzyl]acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3CN4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3CN4CCOCC4

InChI

InChI=1S/C25H30N4O2S/c1-19-25(20(2)29(27-19)23-10-4-3-5-11-23)32-18-24(30)26-16-21-8-6-7-9-22(21)17-28-12-14-31-15-13-28/h3-11H,12-18H2,1-2H3,(H,26,30)