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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylpropanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(methylthio)propionamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCSC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCSC

InChI

InChI=1S/C17H23N3OS/c1-13-16(11-18-17(21)9-10-22-3)14(2)20(19-13)12-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,18,21)