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

Systemtic Name: 5-[(4-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 5-[(4-bromophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde CAS Name: 5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Traditional Name: 5-(4-bromobenzyl)-4-keto-2-thioxo-1H-pyrimidine-6-carbaldehyde Formula: C12H9BrN2O2S MolecularWeight: 325.18106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)Br

InChI

InChI=1S/C12H9BrN2O2S/c13-8-3-1-7(2-4-8)5-9-10(6-16)14-12(18)15-11(9)17/h1-4,6H,5H2,(H2,14,15,17,18)