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

Systemtic Name: 3-[4-(2-azanyl-4-bromanyl-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]propan-1-ol Openeye Name: 3-[4-(2-amino-4-bromo-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]propan-1-ol CAS Name: 3-[4-[(2-amino-4-bromophenyl)thio]-3-(dimethylaminomethyl)phenoxy]-1-propanol IUPAC Name: 3-[4-(2-amino-4-bromophenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]propan-1-ol Traditional Name: 3-[4-[(2-amino-4-bromo-phenyl)thio]-3-(dimethylaminomethyl)phenoxy]propan-1-ol Formula: C18H23BrN2O2S MolecularWeight: 411.35642

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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

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)OCCCO)SC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C18H23BrN2O2S/c1-21(2)12-13-10-15(23-9-3-8-22)5-7-17(13)24-18-6-4-14(19)11-16(18)20/h4-7,10-11,22H,3,8-9,12,20H2,1-2H3