2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(3-acetylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(3-acetylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H12N3O3S- MolecularWeight: 302.32838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-9(18)10-3-2-4-11(7-10)16-13(20)8-21-14-15-6-5-12(19)17-14/h2-7H,8H2,1H3,(H,16,20)(H,15,17,19)/p-1