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

Systemtic Name: 2-[2-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-(2-furyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-(2-furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-(2-furyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H15N5O4S MolecularWeight: 433.4399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N3C(=NC(=N3)C4=CC=CO4)NCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)N3C(=NC(=N3)C4=CC=CO4)NCC5=CC=CS5

InChI

InChI=1S/C21H15N5O4S/c27-17(12-25-19(28)14-6-1-2-7-15(14)20(25)29)26-21(22-11-13-5-4-10-31-13)23-18(24-26)16-8-3-9-30-16/h1-10H,11-12H2,(H,22,23,24)