3-(4-methoxyphenyl)-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile

Systemtic Name: 3-(4-methoxyphenyl)-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Openeye Name: 3-(4-methoxyphenyl)-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile CAS Name: 3-(4-methoxyphenyl)-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile IUPAC Name: 3-(4-methoxyphenyl)-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Traditional Name: 1-keto-3-(4-methoxyphenyl)-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Formula: C20H12N3O2S+ MolecularWeight: 358.39318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)[N+]3=C4C=CC=CC4SC3=C2C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)[N+]3=C4C=CC=CC4SC3=C2C#N)C#N

InChI

InChI=1S/C20H12N3O2S/c1-25-13-8-6-12(7-9-13)18-14(10-21)19(24)23-16-4-2-3-5-17(16)26-20(23)15(18)11-22/h2-9,17H,1H3/q+1