2-methylsulfanyl-5-naphthalen-2-yl-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-one

Systemtic Name: 2-methylsulfanyl-5-naphthalen-2-yl-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-one Openeye Name: 2-methylsulfanyl-5-(2-naphthyl)-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-one CAS Name: 2-(methylthio)-5-(2-naphthalenyl)-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-one IUPAC Name: 2-methylsulfanyl-5-naphthalen-2-yl-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-one Traditional Name: 2-(methylthio)-5-(2-naphthyl)-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-one Formula: C16H13N4OS+ MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=[N+](N1)C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=NC2=[N+](N1)C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C16H12N4OS/c1-22-16-18-15-17-13(9-14(21)20(15)19-16)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,17,18,19,21)/p+1