N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H27N5OS/c1-20-26(21(2)34(33-20)18-22-11-5-3-6-12-22)17-30-27(35)19-36-29-25-16-10-9-15-24(25)28(31-32-29)23-13-7-4-8-14-23/h3-16H,17-19H2,1-2H3,(H,30,35)