2-[3-(dimethylaminomethyl)-4-(4-fluoranyl-2-nitro-phenyl)sulfanyl-phenoxy]ethanol

Systemtic Name: 2-[3-(dimethylaminomethyl)-4-(4-fluoranyl-2-nitro-phenyl)sulfanyl-phenoxy]ethanol Openeye Name: 2-[3-(dimethylaminomethyl)-4-(4-fluoro-2-nitro-phenyl)sulfanyl-phenoxy]ethanol CAS Name: 2-[3-(dimethylaminomethyl)-4-[(4-fluoro-2-nitrophenyl)thio]phenoxy]ethanol IUPAC Name: 2-[3-(dimethylaminomethyl)-4-(4-fluoro-2-nitrophenyl)sulfanylphenoxy]ethanol Traditional Name: 2-[3-(dimethylaminomethyl)-4-[(4-fluoro-2-nitro-phenyl)thio]phenoxy]ethanol Formula: C17H19FN2O4S MolecularWeight: 366.407163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)OCCO)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)OCCO)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN2O4S/c1-19(2)11-12-9-14(24-8-7-21)4-6-16(12)25-17-5-3-13(18)10-15(17)20(22)23/h3-6,9-10,21H,7-8,11H2,1-2H3