3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carbonitrile

Systemtic Name: 3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carbonitrile Openeye Name: 3-methyl-5-[[4-(2-quinolylmethoxy)phenyl]methoxy]benzothiophene-2-carbonitrile CAS Name: 3-methyl-5-[[4-(2-quinolinylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carbonitrile IUPAC Name: 3-methyl-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1-benzothiophene-2-carbonitrile Traditional Name: 3-methyl-5-[4-(2-quinolylmethoxy)benzyl]oxy-benzothiophene-2-carbonitrile Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)OCC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)OCC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C#N

InChI

InChI=1S/C27H20N2O2S/c1-18-24-14-23(12-13-26(24)32-27(18)15-28)30-16-19-6-10-22(11-7-19)31-17-21-9-8-20-4-2-3-5-25(20)29-21/h2-14H,16-17H2,1H3