2-(1,3-benzothiazol-2-ylsulfanyl)-3-[(2-tert-butylhydrazinyl)methylidene]-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[(2-tert-butylhydrazinyl)methylidene]-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[(2-tert-butylhydrazino)methylene]-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[(tert-butylhydrazo)methylidene]-9-methyl-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[(2-tert-butylhydrazinyl)methylidene]-9-methylpyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[(N'-tert-butylhydrazino)methylene]-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H22N5OS2+ MolecularWeight: 424.56228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNNC(C)(C)C)C(=O)[N+]2=CC=C1)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C2N=C(C(=CNNC(C)(C)C)C(=O)[N+]2=CC=C1)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5OS2/c1-13-8-7-11-26-17(13)24-18(14(19(26)27)12-22-25-21(2,3)4)29-20-23-15-9-5-6-10-16(15)28-20/h5-12,25H,1-4H3/p+1