2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-1-phenyl-ethanone Formula: C29H25N3OS MolecularWeight: 463.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3OS/c1-20-25(18-22-12-6-3-7-13-22)29(34-19-26(33)23-14-8-4-9-15-23)32-28(30-20)27(21(2)31-32)24-16-10-5-11-17-24/h3-17H,18-19H2,1-2H3