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

Systemtic Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-1-phenyl-ethanone Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3OS/c1-15-13-20(27-14-19(26)17-9-5-3-6-10-17)25-22(23-15)21(16(2)24-25)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3