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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-phenylsulfanyl-propanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(phenylthio)propanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-phenylsulfanylpropanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylthio)propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-17-21(18(2)25(24-17)16-19-9-5-3-6-10-19)15-23-22(26)13-14-27-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,23,26)