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

Systemtic Name: 7-methyl-5-oxidanylidene-N-(phenylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-benzyl-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: 7-methyl-5-oxo-N-(phenylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-benzyl-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-benzyl-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H14N3O3S2+ MolecularWeight: 336.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C14H13N3O3S2/c1-10-12(13(18)17-7-8-21-14(17)16-10)22(19,20)15-9-11-5-3-2-4-6-11/h2-8,15H,9H2,1H3/p+1