N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1,3-benzothiazole-6-carboxamide Formula: C17H13F3N4O3S MolecularWeight: 410.37033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])SC=N2

InChI

InChI=1S/C17H13F3N4O3S/c18-17(19,20)11-2-4-12(14(8-11)24(26)27)21-5-6-22-16(25)10-1-3-13-15(7-10)28-9-23-13/h1-4,7-9,21H,5-6H2,(H,22,25)