2-(4-chlorophenyl)sulfanyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]propanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]propanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfanyl-propanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]propanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(4-chlorophenyl)thio]propionamide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C(C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C(C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-15-21(16(2)26(25-15)14-18-7-5-4-6-8-18)13-24-22(27)17(3)28-20-11-9-19(23)10-12-20/h4-12,17H,13-14H2,1-3H3,(H,24,27)