4-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

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