5-[[2,6-bis(chloranyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: 5-[[2,6-bis(chloranyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde CAS Name: 5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Traditional Name: 5-(2,6-dichlorobenzyl)-4-keto-2-thioxo-1H-pyrimidine-6-carbaldehyde Formula: C12H8Cl2N2O2S MolecularWeight: 315.17512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC2=C(NC(=S)NC2=O)C=O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC2=C(NC(=S)NC2=O)C=O)Cl

InChI

InChI=1S/C12H8Cl2N2O2S/c13-8-2-1-3-9(14)6(8)4-7-10(5-17)15-12(19)16-11(7)18/h1-3,5H,4H2,(H2,15,16,18,19)