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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-[(methylthio)methyl]benzamide 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)C3=CC(=CC=C3)CSC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-16-21(17(2)25(24-16)14-18-8-5-4-6-9-18)13-23-22(26)20-11-7-10-19(12-20)15-27-3/h4-12H,13-15H2,1-3H3,(H,23,26)