N-(4-methoxy-2-nitro-phenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]acetamide Formula: C17H12F3N3O4S2 MolecularWeight: 443.42009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O4S2/c1-27-10-3-4-11(13(7-10)23(25)26)21-15(24)8-28-16-22-12-6-9(17(18,19)20)2-5-14(12)29-16/h2-7H,8H2,1H3,(H,21,24)