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

Systemtic Name: 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

InChI

InChI=1S/C18H15N5O2S/c1-22-15(12-6-8-19-9-7-12)20-21-18(22)26-11-10-23-16(24)13-4-2-3-5-14(13)17(23)25/h2-9H,10-11H2,1H3