N-(4-cyano-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methyl-benzamide

Systemtic Name: N-(4-cyano-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methyl-benzamide Openeye Name: N-(4-cyano-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methyl-benzamide CAS Name: N-(4-cyano-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methylbenzamide IUPAC Name: N-(4-cyano-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methylbenzamide Traditional Name: N-(4-cyano-1-keto-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methyl-benzamide Formula: C20H14N3O2S+ MolecularWeight: 360.40906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C3[N+](=C4C=CC=CC4S3)C2=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C3[N+](=C4C=CC=CC4S3)C2=O)C#N

InChI

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