(5E)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: (5E)-5-[[1-[(4-nitrophenyl)methyl]-3-indolyl]methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: (5E)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-[[1-(4-nitrobenzyl)indol-3-yl]methylene]-3-propargyl-thiazolidine-2,4-quinone Formula: C22H15N3O4S MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])SC1=O

Isomeric SMILES

C#CCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])/SC1=O

InChI

InChI=1S/C22H15N3O4S/c1-2-11-24-21(26)20(30-22(24)27)12-16-14-23(19-6-4-3-5-18(16)19)13-15-7-9-17(10-8-15)25(28)29/h1,3-10,12,14H,11,13H2/b20-12+