5-benzo[e][1]benzofuran-2-yl-3-[[(4-nitrophenyl)amino]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-benzo[e][1]benzofuran-2-yl-3-[[(4-nitrophenyl)amino]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-benzo[e]benzofuran-2-yl-3-[(4-nitroanilino)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-benzo[e]benzofuranyl)-3-[(4-nitroanilino)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-benzo[e][1]benzofuran-2-yl-3-[(4-nitroanilino)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-benzo[e]benzofuran-2-yl-3-[(4-nitroanilino)methyl]-1,3,4-oxadiazole-2-thione Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=NN(C(=S)O4)CNC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=NN(C(=S)O4)CNC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S/c26-25(27)15-8-6-14(7-9-15)22-12-24-21(30)29-20(23-24)19-11-17-16-4-2-1-3-13(16)5-10-18(17)28-19/h1-11,22H,12H2