2-[2,5-bis(chloranyl)phenyl]sulfanyl-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanyl-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,5-dichlorophenyl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(2,5-dichlorophenyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(2,5-dichlorophenyl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(2,5-dichlorophenyl)thio]acetamide Formula: C21H21Cl2N3OS MolecularWeight: 434.38194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3OS/c1-21(2,3)18-12-19(26(25-18)15-7-5-4-6-8-15)24-20(27)13-28-17-11-14(22)9-10-16(17)23/h4-12H,13H2,1-3H3,(H,24,27)