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

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-6-nitro-1,3-benzothiazole Formula: C15H11FN2O3S2 MolecularWeight: 350.387843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11FN2O3S2/c1-21-13-5-2-9(6-11(13)16)8-22-15-17-12-4-3-10(18(19)20)7-14(12)23-15/h2-7H,8H2,1H3