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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C20H14N4O3S/c1-23-17(16-10-12-6-2-5-9-15(12)27-16)21-22-20(23)28-11-24-18(25)13-7-3-4-8-14(13)19(24)26/h2-10H,11H2,1H3