3-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione

Systemtic Name: 3-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Openeye Name: 3-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione CAS Name: 3-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]pentane-2,4-dione IUPAC Name: 3-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione Traditional Name: 3-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]pentane-2,4-dione Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-11-9-16(24-17(12(2)22)13(3)23)21-18(20-11)15(10-19-21)14-7-5-4-6-8-14/h4-10,17H,1-3H3