2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C12H9ClN3O2S- MolecularWeight: 294.73676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC=CC(=N2)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC=CC(=N2)[O-])Cl

InChI

InChI=1S/C12H10ClN3O2S/c13-8-1-3-9(4-2-8)15-11(18)7-19-12-14-6-5-10(17)16-12/h1-6H,7H2,(H,15,18)(H,14,16,17)/p-1