3-[[2-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-dithian-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-dithian-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[2-[3-(2-quinolylmethoxy)phenyl]-1,3-dithian-2-yl]methyl]benzonitrile CAS Name: 3-[[2-[3-(2-quinolinylmethoxy)phenyl]-1,3-dithian-2-yl]methyl]benzonitrile IUPAC Name: 3-[[2-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-dithian-2-yl]methyl]benzonitrile Traditional Name: 3-[[2-[3-(2-quinolylmethoxy)phenyl]-1,3-dithian-2-yl]methyl]benzonitrile Formula: C28H24N2OS2 MolecularWeight: 468.63296

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CC2=CC=CC(=C2)C#N)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CSC(SC1)(CC2=CC=CC(=C2)C#N)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H24N2OS2/c29-19-22-7-3-6-21(16-22)18-28(32-14-5-15-33-28)24-9-4-10-26(17-24)31-20-25-13-12-23-8-1-2-11-27(23)30-25/h1-4,6-13,16-17H,5,14-15,18,20H2