6-chloranyl-4-oxidanylidene-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde

Systemtic Name: 6-chloranyl-4-oxidanylidene-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde Openeye Name: 6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde CAS Name: 6-chloro-4-oxo-8-[(2-pyrimidinylthio)methyl]-1-benzopyran-3-carboxaldehyde IUPAC Name: 6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde Traditional Name: 6-chloro-4-keto-8-[(2-pyrimidylthio)methyl]chromene-3-carbaldehyde Formula: C15H9ClN2O3S MolecularWeight: 332.76156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=C3C(=CC(=C2)Cl)C(=O)C(=CO3)C=O

Isomeric SMILES

C1=CN=C(N=C1)SCC2=C3C(=CC(=C2)Cl)C(=O)C(=CO3)C=O

InChI

InChI=1S/C15H9ClN2O3S/c16-11-4-9(8-22-15-17-2-1-3-18-15)14-12(5-11)13(20)10(6-19)7-21-14/h1-7H,8H2