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

Systemtic Name: N-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide Openeye Name: N-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]-2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-acetamide CAS Name: N-[4-(5-acetamido-3-methyl-1-pyrazolyl)phenyl]-2-[(4-bromo-2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]-2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)NC(=O)C

InChI

InChI=1S/C22H23BrN4O2S/c1-13-10-20(14(2)9-19(13)23)30-12-22(29)25-17-5-7-18(8-6-17)27-21(24-16(4)28)11-15(3)26-27/h5-11H,12H2,1-4H3,(H,24,28)(H,25,29)