7-[(4-ethanoyl-2-nitro-phenyl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(4-ethanoyl-2-nitro-phenyl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-acetyl-2-nitro-phenyl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(4-acetyl-2-nitrophenyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-acetyl-2-nitrophenyl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(4-acetyl-2-nitro-phenyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H12N3O4S2+ MolecularWeight: 362.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC2=CC(=O)[N+]3=C(N2)SC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC2=CC(=O)[N+]3=C(N2)SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S2/c1-9(19)10-2-3-13(12(6-10)18(21)22)24-8-11-7-14(20)17-4-5-23-15(17)16-11/h2-7H,8H2,1H3/p+1