2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpyrimidin-4-olate

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanylpyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanylpyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]pyrimidin-4-olate Formula: C12H10N3O2S- MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2S/c16-10-6-7-13-12(15-10)18-8-11(17)14-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,13,15,16)/p-1