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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-methylsulfanyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-methylsulfanyl-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(methylthio)benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methylsulfanylbenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(methylthio)benzamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-15-20(13-22-21(25)18-9-11-19(26-3)12-10-18)16(2)24(23-15)14-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)