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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

InChI

InChI=1S/C16H16N4O2S/c1-2-19-13(10-7-8-10)17-18-16(19)23-9-20-14(21)11-5-3-4-6-12(11)15(20)22/h3-6,10H,2,7-9H2,1H3