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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=NC=C4

InChI

InChI=1S/C18H15N5O2S/c1-2-22-15(12-7-9-19-10-8-12)20-21-18(22)26-11-23-16(24)13-5-3-4-6-14(13)17(23)25/h3-10H,2,11H2,1H3