5-[(4-nitrophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: 5-[(4-nitrophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 5-[(4-nitrophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde CAS Name: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Traditional Name: 4-keto-5-(4-nitrobenzyl)-2-thioxo-1H-pyrimidine-6-carbaldehyde Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c16-6-10-9(11(17)14-12(20)13-10)5-7-1-3-8(4-2-7)15(18)19/h1-4,6H,5H2,(H2,13,14,17,20)