2-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)hexyl]isoindole-1,3-dione Openeye Name: 2-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)hexyl]isoindoline-1,3-dione CAS Name: 2-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)hexyl]isoindole-1,3-dione Traditional Name: 2-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)hexyl]isoindoline-1,3-quinone Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCSC3=NN=C4N3C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-18-15-9-3-4-10-16(15)19(26)24(18)13-6-1-2-8-14-27-20-22-21-17-11-5-7-12-23(17)20/h3-5,7,9-12H,1-2,6,8,13-14H2