3-(2-ethylhexyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

Systemtic Name: 3-(2-ethylhexyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Openeye Name: 3-(2-ethylhexyl)-N-(2-nitrophenyl)-4-(2-thienyl)thiazol-2-imine CAS Name: 3-(2-ethylhexyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-2-thiazolimine IUPAC Name: 3-(2-ethylhexyl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Traditional Name: [3-(2-ethylhexyl)-4-(2-thienyl)-4-thiazolin-2-ylidene]-(2-nitrophenyl)amine Formula: C21H25N3O2S2 MolecularWeight: 415.5721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CCCCC(CC)CN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S2/c1-3-5-9-16(4-2)14-23-19(20-12-8-13-27-20)15-28-21(23)22-17-10-6-7-11-18(17)24(25)26/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3