2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)Br

InChI

InChI=1S/C19H18BrN3OS/c1-13-19(20)14(2)23(22-13)12-18(24)21-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,24)