2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N5OS/c1-18-13-19(2)28-25(27-18)32-17-23(31)26-14-22-16-30(15-20-9-5-3-6-10-20)29-24(22)21-11-7-4-8-12-21/h3-13,16H,14-15,17H2,1-2H3,(H,26,31)