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

Systemtic Name: 3-[2-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-dithian-2-yl]propanenitrile Openeye Name: 3-[2-[3-(2-quinolylmethoxy)phenyl]-1,3-dithian-2-yl]propanenitrile CAS Name: 3-[2-[3-(2-quinolinylmethoxy)phenyl]-1,3-dithian-2-yl]propanenitrile IUPAC Name: 3-[2-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-dithian-2-yl]propanenitrile Traditional Name: 3-[2-[3-(2-quinolylmethoxy)phenyl]-1,3-dithian-2-yl]propionitrile Formula: C23H22N2OS2 MolecularWeight: 406.56358

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CCC#N)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CSC(SC1)(CCC#N)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22N2OS2/c24-13-4-12-23(27-14-5-15-28-23)19-7-3-8-21(16-19)26-17-20-11-10-18-6-1-2-9-22(18)25-20/h1-3,6-11,16H,4-5,12,14-15,17H2