5-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: 5-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 5-[(3-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde CAS Name: 5-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 5-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Traditional Name: 5-(3-chlorobenzyl)-4-keto-2-thioxo-1H-pyrimidine-6-carbaldehyde Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O2S/c13-8-3-1-2-7(4-8)5-9-10(6-16)14-12(18)15-11(9)17/h1-4,6H,5H2,(H2,14,15,17,18)