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

Systemtic Name: 3-methyl-5-oxidanylidene-N-(2-phenylsulfanylphenyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-methyl-5-oxo-N-(2-phenylsulfanylphenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-methyl-5-oxo-N-[2-(phenylthio)phenyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-methyl-5-oxo-N-(2-phenylsulfanylphenyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-methyl-N-[2-(phenylthio)phenyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C20H16N3O2S2+ MolecularWeight: 394.48994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C20H15N3O2S2/c1-13-12-26-20-21-11-15(19(25)23(13)20)18(24)22-16-9-5-6-10-17(16)27-14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24)/p+1