3-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(2-furyl)-N-(2-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(2-furanyl)-N-(2-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [4-(2-furyl)-3-piperonyl-4-thiazolin-2-ylidene]-(2-nitrophenyl)amine Formula: C21H15N3O5S MolecularWeight: 421.4259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CO5

InChI

InChI=1S/C21H15N3O5S/c25-24(26)16-5-2-1-4-15(16)22-21-23(17(12-30-21)18-6-3-9-27-18)11-14-7-8-19-20(10-14)29-13-28-19/h1-10,12H,11,13H2