S-(3-ethanoylsulfanyl-2-phthalazin-1-yl-propyl) ethanethioate

Systemtic Name: S-(3-ethanoylsulfanyl-2-phthalazin-1-yl-propyl) ethanethioate Openeye Name: S-(3-acetylsulfanyl-2-phthalazin-1-yl-propyl) ethanethioate CAS Name: ethanethioic acid S-[3-(acetylthio)-2-(1-phthalazinyl)propyl] ester IUPAC Name: S-(3-acetylsulfanyl-2-phthalazin-1-ylpropyl) ethanethioate Traditional Name: ethanethioic acid S-[3-(acetylthio)-2-phthalazin-1-yl-propyl] ester Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CSC(=O)C)C1=NN=CC2=CC=CC=C21

Isomeric SMILES

CC(=O)SCC(CSC(=O)C)C1=NN=CC2=CC=CC=C21

InChI

InChI=1S/C15H16N2O2S2/c1-10(18)20-8-13(9-21-11(2)19)15-14-6-4-3-5-12(14)7-16-17-15/h3-7,13H,8-9H2,1-2H3