2-[(3-ethylsulfanylpyridin-2-yl)-methyl-amino]isoindole-1,3-dione

Systemtic Name: 2-[(3-ethylsulfanylpyridin-2-yl)-methyl-amino]isoindole-1,3-dione Openeye Name: 2-[(3-ethylsulfanyl-2-pyridyl)-methyl-amino]isoindoline-1,3-dione CAS Name: 2-[[3-(ethylthio)-2-pyridinyl]-methylamino]isoindole-1,3-dione IUPAC Name: 2-[(3-ethylsulfanylpyridin-2-yl)-methylamino]isoindole-1,3-dione Traditional Name: 2-[[3-(ethylthio)-2-pyridyl]-methyl-amino]isoindoline-1,3-quinone Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=CC=C1)N(C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCSC1=C(N=CC=C1)N(C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15N3O2S/c1-3-22-13-9-6-10-17-14(13)18(2)19-15(20)11-7-4-5-8-12(11)16(19)21/h4-10H,3H2,1-2H3