2-[4-[3-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[(5-methyl-2-thienyl)methyl-phenethyl-amino]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[(5-methyl-2-thiophenyl)methyl-phenethylamino]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-[(5-methylthiophen-2-yl)methyl-phenethylamino]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[(5-methyl-2-thienyl)methyl-phenethyl-amino]propoxy]phenyl]acetonitrile Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC(COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C25H28N2O2S/c1-20-7-12-25(30-20)18-27(16-14-21-5-3-2-4-6-21)17-23(28)19-29-24-10-8-22(9-11-24)13-15-26/h2-12,23,28H,13-14,16-19H2,1H3