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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)Br

InChI

InChI=1S/C20H20BrN3OS/c1-14-20(21)15(2)24(23-14)13-12-19(25)22-17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)