2-(4-acetamidophenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-14-21(15(2)25(24-14)18-7-5-4-6-8-18)23-20(27)13-28-19-11-9-17(10-12-19)22-16(3)26/h4-12H,13H2,1-3H3,(H,22,26)(H,23,27)