N-[3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]phenyl]-2-pyrazol-1-yl-propionamide 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(=CC=C2)NC(=O)C(C)N3C=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O2S/c1-14-11-20(15(2)10-19(14)23)30-13-21(28)25-17-6-4-7-18(12-17)26-22(29)16(3)27-9-5-8-24-27/h4-12,16H,13H2,1-3H3,(H,25,28)(H,26,29)