2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20BrN3OS/c1-13-11-16(21)9-10-18(13)26-12-19(25)22-20-14(2)23-24(15(20)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,22,25)