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

Systemtic Name: N-(2-butyl-5-oxidanylidene-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methyl-benzamide Openeye Name: N-(2-butyl-5-oxo-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methyl-benzamide CAS Name: N-(2-butyl-5-oxo-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methylbenzamide IUPAC Name: N-(2-butyl-5-oxo-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methylbenzamide Traditional Name: N-(2-butyl-5-keto-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-methyl-benzamide Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-3-4-8-14-20-21-16(23)13(10-18-17(21)24-14)19-15(22)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,22)/p+1