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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)CSC3=CC=CC=C3

InChI

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