3-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)-4-(4-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: (2,6-diethylphenyl)-[4-(4-nitrophenyl)-3-piperonyl-4-thiazolin-2-ylidene]amine Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O4S/c1-3-19-6-5-7-20(4-2)26(19)28-27-29(15-18-8-13-24-25(14-18)34-17-33-24)23(16-35-27)21-9-11-22(12-10-21)30(31)32/h5-14,16H,3-4,15,17H2,1-2H3