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

Systemtic Name: 2-[4-[3-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O2S/c1-20(11-16-6-7-17(18)23-16)10-14(21)12-22-15-4-2-13(3-5-15)8-9-19/h2-7,14,21H,8,10-12H2,1H3