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

Systemtic Name: 1-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpropan-2-one Openeye Name: 1-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpropan-2-one CAS Name: 1-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-2-propanone IUPAC Name: 1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpropan-2-one Traditional Name: 1-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetone Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3OS/c1-11-9-15(22-10-12(2)21)20-17(18-11)16(13(3)19-20)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3