2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-(trifluoromethyl)-1,3-benzothiazole

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-(trifluoromethyl)-1,3-benzothiazole Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-(trifluoromethyl)-1,3-benzothiazole CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-6-(trifluoromethyl)-1,3-benzothiazole IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)-1,3-benzothiazole Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-6-(trifluoromethyl)-1,3-benzothiazole Formula: C16H11F3N2O3S2 MolecularWeight: 400.39535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2O3S2/c1-24-13-5-2-9(6-12(13)21(22)23)8-25-15-20-11-4-3-10(16(17,18)19)7-14(11)26-15/h2-7H,8H2,1H3