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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=N[N+]2=C(S1)NC=C(C2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=N[N+]2=C(S1)NC=C(C2=O)NC(=O)C3=CC=CC=C3

InChI

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