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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=N[N+]2=C(S1)NC=C(C2=O)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=N[N+]2=C(S1)NC=C(C2=O)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C16H16N4O2S/c1-3-6-13-19-20-15(22)12(9-17-16(20)23-13)18-14(21)11-8-5-4-7-10(11)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,21)/p+1