2-[3-[(5-bromanylthiophen-3-yl)methylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(5-bromanylthiophen-3-yl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(5-bromo-3-thienyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(5-bromo-3-thiophenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(5-bromothiophen-3-yl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(5-bromo-3-thienyl)methylamino]phenoxy]acetonitrile Formula: C13H11BrN2OS MolecularWeight: 323.20824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC#N)NCC2=CSC(=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)OCC#N)NCC2=CSC(=C2)Br

InChI

InChI=1S/C13H11BrN2OS/c14-13-6-10(9-18-13)8-16-11-2-1-3-12(7-11)17-5-4-15/h1-3,6-7,9,16H,5,8H2