N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-2-(phenylthio)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=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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