3-[3-(dimethylaminomethyl)-4-(4-fluoranyl-2-nitro-phenyl)sulfanyl-phenoxy]propan-1-ol

Systemtic Name: 3-[3-(dimethylaminomethyl)-4-(4-fluoranyl-2-nitro-phenyl)sulfanyl-phenoxy]propan-1-ol Openeye Name: 3-[3-(dimethylaminomethyl)-4-(4-fluoro-2-nitro-phenyl)sulfanyl-phenoxy]propan-1-ol CAS Name: 3-[3-(dimethylaminomethyl)-4-[(4-fluoro-2-nitrophenyl)thio]phenoxy]-1-propanol IUPAC Name: 3-[3-(dimethylaminomethyl)-4-(4-fluoro-2-nitrophenyl)sulfanylphenoxy]propan-1-ol Traditional Name: 3-[3-(dimethylaminomethyl)-4-[(4-fluoro-2-nitro-phenyl)thio]phenoxy]propan-1-ol Formula: C18H21FN2O4S MolecularWeight: 380.433743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O4S/c1-20(2)12-13-10-15(25-9-3-8-22)5-7-17(13)26-18-6-4-14(19)11-16(18)21(23)24/h4-7,10-11,22H,3,8-9,12H2,1-2H3