S-phenyl N-(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)carbamothioate

Systemtic Name: S-phenyl N-(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)carbamothioate Openeye Name: S-phenyl N-(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)carbamothioate CAS Name: N-(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)carbamothioic acid S-phenyl ester IUPAC Name: S-phenyl N-(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)carbamothioate Traditional Name: N-(5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)thiocarbamic acid S-phenyl ester Formula: C13H10N3O2S2+ MolecularWeight: 304.3674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)NC2=CNC3=[N+](C2=O)C=CS3

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)NC2=CNC3=[N+](C2=O)C=CS3

InChI

InChI=1S/C13H9N3O2S2/c17-11-10(8-14-12-16(11)6-7-19-12)15-13(18)20-9-4-2-1-3-5-9/h1-8H,(H,15,18)/p+1