N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: 2-(2-methylthiazol-4-yl)ethyl-(2-nitro-4-triflyl-phenyl)amine Formula: C13H12F3N3O4S2 MolecularWeight: 395.37729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4S2/c1-8-18-9(7-24-8)4-5-17-11-3-2-10(6-12(11)19(20)21)25(22,23)13(14,15)16/h2-3,6-7,17H,4-5H2,1H3