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

Systemtic Name: 2-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)aniline Openeye Name: 2-nitro-N-[(4-phenylthiazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)aniline CAS Name: 2-nitro-N-[(4-phenyl-2-thiazolyl)methyl]-4-(trifluoromethylsulfonyl)aniline IUPAC Name: 2-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)aniline Traditional Name: (2-nitro-4-triflyl-phenyl)-[(4-phenylthiazol-2-yl)methyl]amine Formula: C17H12F3N3O4S2 MolecularWeight: 443.42009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)CNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)CNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O4S2/c18-17(19,20)29(26,27)12-6-7-13(15(8-12)23(24)25)21-9-16-22-14(10-28-16)11-4-2-1-3-5-11/h1-8,10,21H,9H2