2,3-dimethyl-N-(2-methylsulfanylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 2,3-dimethyl-N-(2-methylsulfanylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 2,3-dimethyl-N-(2-methylsulfanylphenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 2,3-dimethyl-N-[2-(methylthio)phenyl]-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 2,3-dimethyl-N-(2-methylsulfanylphenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-2,3-dimethyl-N-[2-(methylthio)phenyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C16H16N3O2S2+ MolecularWeight: 346.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[N+]1C(=O)C(=CN2)C(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

CC1=C(SC2=[N+]1C(=O)C(=CN2)C(=O)NC3=CC=CC=C3SC)C

InChI

InChI=1S/C16H15N3O2S2/c1-9-10(2)23-16-17-8-11(15(21)19(9)16)14(20)18-12-6-4-5-7-13(12)22-3/h4-8H,1-3H3,(H,18,20)/p+1