2-[2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2-hydroxy-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2-hydroxy-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C12H9ClN3O3S- MolecularWeight: 310.73616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC=CC(=N2)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC=CC(=N2)[O-])O

InChI

InChI=1S/C12H10ClN3O3S/c13-7-1-2-9(17)8(5-7)15-11(19)6-20-12-14-4-3-10(18)16-12/h1-5,17H,6H2,(H,15,19)(H,14,16,18)/p-1