3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-oxo-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-1-oxo-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-oxo-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-keto-2H-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Formula: C20H10N3O3S+ MolecularWeight: 372.3767

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=[N+](C5=CC=CC=C5S4)C(=O)C3C#N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=[N+](C5=CC=CC=C5S4)C(=O)C3C#N)C#N

InChI

InChI=1S/C20H10N3O3S/c21-8-12-18(11-5-6-15-16(7-11)26-10-25-15)13(9-22)20-23(19(12)24)14-3-1-2-4-17(14)27-20/h1-7,12H,10H2/q+1