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

Systemtic Name: 2-[2-oxidanylidene-2-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N3C(=NC(=N3)C4=CN=CC=C4)NCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N3C(=NC(=N3)C4=CN=CC=C4)NCC5=CC=CS5

InChI

InChI=1S/C22H16N6O3S/c29-18(13-27-20(30)16-7-1-2-8-17(16)21(27)31)28-22(24-12-15-6-4-10-32-15)25-19(26-28)14-5-3-9-23-11-14/h1-11H,12-13H2,(H,24,25,26)