2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[[1-(2,5-dimethyl-3-thienyl)ethylamino]methyl]phenoxy]acetonitrile CAS Name: 2-[4-[[1-(2,5-dimethyl-3-thiophenyl)ethylamino]methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[[1-(2,5-dimethyl-3-thienyl)ethylamino]methyl]phenoxy]acetonitrile Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NCC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NCC2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C17H20N2OS/c1-12-10-17(14(3)21-12)13(2)19-11-15-4-6-16(7-5-15)20-9-8-18/h4-7,10,13,19H,9,11H2,1-3H3