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

Systemtic Name: 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NN=C(N1C)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H14N4O2S/c1-9-15-16-14(17(9)2)21-8-7-18-12(19)10-5-3-4-6-11(10)13(18)20/h3-6H,7-8H2,1-2H3