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

Systemtic Name: 3-[4-(4-bromanyl-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]propan-1-ol Openeye Name: 3-[4-(4-bromo-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]propan-1-ol CAS Name: 3-[4-[(4-bromo-2-nitrophenyl)thio]-3-(dimethylaminomethyl)phenoxy]-1-propanol IUPAC Name: 3-[4-(4-bromo-2-nitrophenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]propan-1-ol Traditional Name: 3-[4-[(4-bromo-2-nitro-phenyl)thio]-3-(dimethylaminomethyl)phenoxy]propan-1-ol Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4S/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