4-oxidanylidene-3-(4-pyridin-3-ylpyrimidin-2-yl)sulfanyl-pent-2-en-2-olate

Systemtic Name: 4-oxidanylidene-3-(4-pyridin-3-ylpyrimidin-2-yl)sulfanyl-pent-2-en-2-olate Openeye Name: 4-oxo-3-[4-(3-pyridyl)pyrimidin-2-yl]sulfanyl-pent-2-en-2-olate CAS Name: 4-oxo-3-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]-2-penten-2-olate IUPAC Name: 4-oxo-3-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylpent-2-en-2-olate Traditional Name: 4-keto-3-[[4-(3-pyridyl)pyrimidin-2-yl]thio]pent-2-en-2-olate Formula: C14H12N3O2S- MolecularWeight: 286.32898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NC=CC(=N1)C2=CN=CC=C2)[O-]

Isomeric SMILES

CC(=C(C(=O)C)SC1=NC=CC(=N1)C2=CN=CC=C2)[O-]

InChI

InChI=1S/C14H13N3O2S/c1-9(18)13(10(2)19)20-14-16-7-5-12(17-14)11-4-3-6-15-8-11/h3-8,18H,1-2H3/p-1