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

Systemtic Name: 2-[3-[(5-bromanylthiophen-2-yl)methylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[(5-bromo-2-thienyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[3-[(5-bromo-2-thiophenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[(5-bromothiophen-2-yl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[(5-bromo-2-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=CC=C(S2)Br

Isomeric SMILES

C1=CC(=CC(=C1)OCC#N)NCC2=CC=C(S2)Br

InChI

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