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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-15-20(16(2)25(24-15)18-6-4-3-5-7-18)14-23-21(26)12-13-27-19-10-8-17(22)9-11-19/h3-11H,12-14H2,1-2H3,(H,23,26)