2-cyano-3-(4-methylphenyl)-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carboxamide

Systemtic Name: 2-cyano-3-(4-methylphenyl)-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carboxamide Openeye Name: 2-cyano-1-oxo-3-(p-tolyl)-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carboxamide CAS Name: 2-cyano-3-(4-methylphenyl)-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carboxamide IUPAC Name: 2-cyano-3-(4-methylphenyl)-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carboxamide Traditional Name: 2-cyano-1-keto-3-(p-tolyl)-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-carboxamide Formula: C20H14N3O2S+ MolecularWeight: 360.40906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)[N+]3=C4C=CC=CC4SC3=C2C(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)[N+]3=C4C=CC=CC4SC3=C2C(=O)N)C#N

InChI

InChI=1S/C20H13N3O2S/c1-11-6-8-12(9-7-11)16-13(10-21)19(25)23-14-4-2-3-5-15(14)26-20(23)17(16)18(22)24/h2-9,15H,1H3,(H-,22,24)/p+1