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

Systemtic Name: 2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]-6-nitro-1,3-benzothiazole Formula: C16H12F2N2O4S2 MolecularWeight: 398.404286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F2N2O4S2/c1-23-13-6-9(2-5-12(13)24-15(17)18)8-25-16-19-11-4-3-10(20(21)22)7-14(11)26-16/h2-7,15H,8H2,1H3