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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-nitrophenyl)-4-(2-thienyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Traditional Name: (2-nitrophenyl)-[3-piperonyl-4-(2-thienyl)-4-thiazolin-2-ylidene]amine Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C21H15N3O4S2/c25-24(26)16-5-2-1-4-15(16)22-21-23(17(12-30-21)20-6-3-9-29-20)11-14-7-8-18-19(10-14)28-13-27-18/h1-10,12H,11,13H2