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

Systemtic Name: 1-oxidanylidene-3-phenyl-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Openeye Name: 1-oxo-3-phenyl-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile CAS Name: 1-oxo-3-phenyl-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile IUPAC Name: 1-oxo-3-phenyl-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Traditional Name: 1-keto-3-phenyl-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2,4-dicarbonitrile Formula: C19H10N3OS+ MolecularWeight: 328.3672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H10N3OS/c20-10-13-17(12-6-2-1-3-7-12)14(11-21)19-22(18(13)23)15-8-4-5-9-16(15)24-19/h1-9,16H/q+1