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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[2-[(4-chlorophenyl)thio]phenyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[2-[(4-chlorophenyl)thio]phenyl]propionamide Formula: C20H19BrClN3OS MolecularWeight: 464.80636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3OS/c1-13-20(21)14(2)25(24-13)12-11-19(26)23-17-5-3-4-6-18(17)27-16-9-7-15(22)8-10-16/h3-10H,11-12H2,1-2H3,(H,23,26)