(E)-3-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: (E)-3-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-oxidanylidene-pent-2-en-2-olate Openeye Name: (E)-3-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-oxo-pent-2-en-2-olate CAS Name: (E)-3-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-4-oxo-2-penten-2-olate IUPAC Name: (E)-3-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-4-oxopent-2-en-2-olate Traditional Name: (E)-4-keto-3-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]pent-2-en-2-olate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)S/C(=C(\C)/[O-])/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/h4-10,22H,1-3H3/p-1/b17-12+