2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]benzenecarbonitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]benzenecarbonitrile Openeye Name: 2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]benzonitrile CAS Name: 2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]benzonitrile IUPAC Name: 2-[(3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]benzonitrile Traditional Name: 2-[(5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]benzonitrile Formula: C15H12N3O2S+ MolecularWeight: 298.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC3=CC=CC=C3C#N

InChI

InChI=1S/C15H11N3O2S/c1-10-9-21-15-17-12(6-14(19)18(10)15)8-20-13-5-3-2-4-11(13)7-16/h2-6,9H,8H2,1H3/p+1