2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-N-[4-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C20H20N5O2S2+ MolecularWeight: 426.5351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)CSCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)CSCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C20H19N5O2S2/c26-18(14-28-13-17-10-19(27)25-8-9-29-20(25)23-17)21-11-15-2-4-16(5-3-15)12-24-7-1-6-22-24/h1-10H,11-14H2,(H,21,26)/p+1