3-methyl-N-(5-oxidanylidene-2-propan-2-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)benzamide

Systemtic Name: 3-methyl-N-(5-oxidanylidene-2-propan-2-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)benzamide Openeye Name: N-(2-isopropyl-5-oxo-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methyl-benzamide CAS Name: 3-methyl-N-(5-oxo-2-propan-2-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)benzamide IUPAC Name: 3-methyl-N-(5-oxo-2-propan-2-yl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)benzamide Traditional Name: N-(2-isopropyl-5-keto-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methyl-benzamide Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CNC3=[N+](C2=O)N=C(S3)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CNC3=[N+](C2=O)N=C(S3)C(C)C

InChI

InChI=1S/C16H16N4O2S/c1-9(2)14-19-20-15(22)12(8-17-16(20)23-14)18-13(21)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H,18,21)/p+1