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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S/c1-2-22-16(13-8-4-3-5-9-13)20-21-19(22)26-12-23-17(24)14-10-6-7-11-15(14)18(23)25/h3-11H,2,12H2,1H3