5-(2-chlorophenyl)sulfanyl-2-methyl-4H-[1,2]oxazolo[2,3-a]pyrimidin-8-ium-7-one

Systemtic Name: 5-(2-chlorophenyl)sulfanyl-2-methyl-4H-[1,2]oxazolo[2,3-a]pyrimidin-8-ium-7-one Openeye Name: 5-(2-chlorophenyl)sulfanyl-2-methyl-4H-isoxazolo[2,3-a]pyrimidin-8-ium-7-one CAS Name: 5-[(2-chlorophenyl)thio]-2-methyl-4H-isoxazolo[2,3-a]pyrimidin-8-ium-7-one IUPAC Name: 5-(2-chlorophenyl)sulfanyl-2-methyl-4H-[1,2]oxazolo[2,3-a]pyrimidin-8-ium-7-one Traditional Name: 5-[(2-chlorophenyl)thio]-2-methyl-4H-isoxazolo[2,3-a]pyrimidin-8-ium-7-one Formula: C13H10ClN2O2S+ MolecularWeight: 293.7487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](O1)C(=O)C=C(N2)SC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC2=[N+](O1)C(=O)C=C(N2)SC3=CC=CC=C3Cl

InChI

InChI=1S/C13H9ClN2O2S/c1-8-6-11-15-12(7-13(17)16(11)18-8)19-10-5-3-2-4-9(10)14/h2-7H,1H3/p+1