2-[2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]ethyl]isoindoline-1,3-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=NNC(=N1)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H12N4O2S/c1-20-13-14-10(15-16-13)6-7-17-11(18)8-4-2-3-5-9(8)12(17)19/h2-5H,6-7H2,1H3,(H,14,15,16)