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

Systemtic Name: 2-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

InChI

InChI=1S/C20H19N5O2S/c1-2-11-24-17(14-7-9-21-10-8-14)22-23-20(24)28-13-12-25-18(26)15-5-3-4-6-16(15)19(25)27/h3-10H,2,11-13H2,1H3