N-[2-(4-bromophenyl)sulfanylethyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3OS/c1-15-20(16(2)25(24-15)18-6-4-3-5-7-18)14-21(26)23-12-13-27-19-10-8-17(22)9-11-19/h3-11H,12-14H2,1-2H3,(H,23,26)