N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-chlorophenyl)thio]acetamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3OS/c1-21(2,3)18-13-19(25(24-18)16-7-5-4-6-8-16)23-20(26)14-27-17-11-9-15(22)10-12-17/h4-13H,14H2,1-3H3,(H,23,26)