2-[(4-bromophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]propanamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]propanamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]propionamide Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C(C)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C(C)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H24BrN3OS/c1-14-5-11-20(12-6-14)26-16(3)21(15(2)25-26)24-22(27)17(4)28-13-18-7-9-19(23)10-8-18/h5-12,17H,13H2,1-4H3,(H,24,27)