5-bromanyl-2-[2-(dimethylaminomethyl)-4-(3-fluoranylpropoxy)phenyl]sulfanyl-aniline

Systemtic Name: 5-bromanyl-2-[2-(dimethylaminomethyl)-4-(3-fluoranylpropoxy)phenyl]sulfanyl-aniline Openeye Name: 5-bromo-2-[2-(dimethylaminomethyl)-4-(3-fluoropropoxy)phenyl]sulfanyl-aniline CAS Name: 5-bromo-2-[[2-(dimethylaminomethyl)-4-(3-fluoropropoxy)phenyl]thio]aniline IUPAC Name: 5-bromo-2-[2-(dimethylaminomethyl)-4-(3-fluoropropoxy)phenyl]sulfanylaniline Traditional Name: [2-[(2-amino-4-bromo-phenyl)thio]-5-(3-fluoropropoxy)benzyl]-dimethyl-amine Formula: C18H22BrFN2OS MolecularWeight: 413.347483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrFN2OS/c1-22(2)12-13-10-15(23-9-3-8-20)5-7-17(13)24-18-6-4-14(19)11-16(18)21/h4-7,10-11H,3,8-9,12,21H2,1-2H3