4-(1-benzofuran-2-yl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine

Systemtic Name: 4-(1-benzofuran-2-yl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Openeye Name: 4-(benzofuran-2-yl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(2-benzofuranyl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiazolimine IUPAC Name: 4-(1-benzofuran-2-yl)-N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: [4-(benzofuran-2-yl)-2-ethylimino-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=CS1)C2=CC3=CC=CC=C3O2)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CCN=C1N(C(=CS1)C2=CC3=CC=CC=C3O2)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C21H16N4O5S/c1-2-22-21-24(16(11-31-21)18-7-13-5-3-4-6-17(13)30-18)23-10-14-8-19-20(29-12-28-19)9-15(14)25(26)27/h3-11H,2,12H2,1H3