5-azanyl-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C=C(N32)N

InChI

InChI=1S/C13H11N5O2S/c14-10-6-11(20)15-12-16-17-13(18(10)12)21-7-9(19)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,16,20)