3-(chloromethyl)-1-oxidanylidene-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile

Systemtic Name: 3-(chloromethyl)-1-oxidanylidene-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile Openeye Name: 3-(chloromethyl)-1-oxo-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile CAS Name: 3-(chloromethyl)-1-oxo-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile IUPAC Name: 3-(chloromethyl)-1-oxo-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile Traditional Name: 3-(chloromethyl)-1-keto-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carbonitrile Formula: C13H8ClN2OS+ MolecularWeight: 275.73342

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=[N+](C1=O)C3=CC=CC=C3S2)C#N)CCl

Isomeric SMILES

C1C(=C(C2=[N+](C1=O)C3=CC=CC=C3S2)C#N)CCl

InChI

InChI=1S/C13H8ClN2OS/c14-6-8-5-12(17)16-10-3-1-2-4-11(10)18-13(16)9(8)7-15/h1-4H,5-6H2/q+1