N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoranyl-3-nitro-aniline

Systemtic Name: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoranyl-3-nitro-aniline Openeye Name: N-[1-(2,5-dimethylthiazol-4-yl)ethyl]-4-fluoro-3-nitro-aniline CAS Name: N-[1-(2,5-dimethyl-4-thiazolyl)ethyl]-4-fluoro-3-nitroaniline IUPAC Name: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoro-3-nitroaniline Traditional Name: 1-(2,5-dimethylthiazol-4-yl)ethyl-(4-fluoro-3-nitro-phenyl)amine Formula: C13H14FN3O2S MolecularWeight: 295.332563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C)C(C)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(S1)C)C(C)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14FN3O2S/c1-7(13-8(2)20-9(3)16-13)15-10-4-5-11(14)12(6-10)17(18)19/h4-7,15H,1-3H3