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

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CO5

InChI

InChI=1S/C21H14N4O3S/c26-19-15-9-4-5-10-16(15)20(27)24(19)13-29-21-23-22-18(17-11-6-12-28-17)25(21)14-7-2-1-3-8-14/h1-12H,13H2