N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-[(4-fluorophenyl)thio]propionamide Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3OS/c1-16-21(17(2)26(25-16)15-18-6-4-3-5-7-18)14-24-22(27)12-13-28-20-10-8-19(23)9-11-20/h3-11H,12-15H2,1-2H3,(H,24,27)