2-[(4R)-5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate

Systemtic Name: 2-[(4R)-5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4R)-5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4R)-5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4R)-5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate Traditional Name: 2-[(4R)-5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)C

InChI

InChI=1S/C13H13N3O4S/c1-6-11(7(2)17)12(15-13(21)14-6)9-5-8(16(19)20)3-4-10(9)18/h3-5,12,18H,1-2H3,(H2,14,15,21)/p-1/t12-/m1/s1