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

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-acetamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3CN(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3CN(C)C

InChI

InChI=1S/C23H28N4OS/c1-17-23(18(2)27(25-17)21-12-6-5-7-13-21)29-16-22(28)24-14-19-10-8-9-11-20(19)15-26(3)4/h5-13H,14-16H2,1-4H3,(H,24,28)