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

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

Systemtic Name:5-methyl-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
Openeye Name:5-methyl-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
CAS Name:5-methyl-3-(phenacylthio)-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
IUPAC Name:5-methyl-3-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
Traditional Name:5-methyl-3-(phenacylthio)-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
Formula: C14H11N4O2S-
MolecularWeight: 299.32774
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=CC=CC=C3)[O-]


Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=CC=CC=C3)[O-]


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)/p-1


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