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

Systemtic Name: 2-[4-[3-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C18H21ClN2O2S MolecularWeight: 364.88954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CC(COC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CC(COC2=CC=C(C=C2)CC#N)O

InChI

InChI=1S/C18H21ClN2O2S/c1-2-21(12-17-7-8-18(19)24-17)11-15(22)13-23-16-5-3-14(4-6-16)9-10-20/h3-8,15,22H,2,9,11-13H2,1H3