N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]acetamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H25N5OS/c1-17-20(18(2)28(26-17)19-9-5-4-6-10-19)15-27(3)16-23(29)25-21-11-7-8-12-22(21)30-14-13-24/h4-12H,14-16H2,1-3H3,(H,25,29)