2-[4-[1-(3-bromanylthiophen-2-yl)ethylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-(3-bromanylthiophen-2-yl)ethylamino]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(3-bromo-2-thienyl)ethylamino]phenoxy]acetonitrile CAS Name: 2-[4-[1-(3-bromo-2-thiophenyl)ethylamino]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(3-bromo-2-thienyl)ethylamino]phenoxy]acetonitrile Formula: C14H13BrN2OS MolecularWeight: 337.23482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CS1)Br)NC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC(C1=C(C=CS1)Br)NC2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C14H13BrN2OS/c1-10(14-13(15)6-9-19-14)17-11-2-4-12(5-3-11)18-8-7-16/h2-6,9-10,17H,8H2,1H3