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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3OS/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)