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

Systemtic Name: 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-1-phenyl-ethanone Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3OS/c1-15-12-20(26-14-19(25)17-10-6-3-7-11-17)24-21(23-15)18(13-22-24)16-8-4-2-5-9-16/h2-13H,14H2,1H3