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

Systemtic Name: 5-methyl-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-methyl-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-methyl-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-methyl-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-methyl-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1C(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C2N1C(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-9-7-12(20)15-13-16-17-14(18(9)13)21-8-11(19)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,20)