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

Systemtic Name: 3-phenyl-7-(sulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-phenyl-7-(sulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-(mercaptomethyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-phenyl-7-(sulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-(mercaptomethyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C13H11N2OS2+ MolecularWeight: 275.36924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C=C(N3)CS

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C=C(N3)CS

InChI

InChI=1S/C13H10N2OS2/c16-12-6-10(7-17)14-13-15(12)11(8-18-13)9-4-2-1-3-5-9/h1-6,8,17H,7H2/p+1