(E)-3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-oxidanyl-pent-3-en-2-one

Systemtic Name: (E)-3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-oxidanyl-pent-3-en-2-one Openeye Name: (E)-3-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-hydroxy-pent-3-en-2-one CAS Name: (E)-3-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-4-hydroxy-3-penten-2-one IUPAC Name: (E)-3-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-hydroxypent-3-en-2-one Traditional Name: (E)-3-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-4-hydroxy-pent-3-en-2-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)S/C(=C(\C)/O)/C(=O)C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-11-10-16(25-18(13(3)23)14(4)24)22-19(20-11)17(12(2)21-22)15-8-6-5-7-9-15/h5-10,23H,1-4H3/b18-13+