2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(2-isopropylpyrazol-3-yl)acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(2-isopropylpyrazol-3-yl)acetamide Formula: C16H20BrN3OS MolecularWeight: 382.3185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C16H20BrN3OS/c1-10(2)20-15(5-6-18-20)19-16(21)9-22-14-8-11(3)13(17)7-12(14)4/h5-8,10H,9H2,1-4H3,(H,19,21)