8-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6-(pyridin-4-ylmethyl)quinoline

Systemtic Name: 8-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6-(pyridin-4-ylmethyl)quinoline Openeye Name: 8-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6-(4-pyridylmethyl)quinoline CAS Name: 8-[3-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-6-(pyridin-4-ylmethyl)quinoline IUPAC Name: 8-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-6-(pyridin-4-ylmethyl)quinoline Traditional Name: 8-[3-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]phenyl]-6-(4-pyridylmethyl)quinoline Formula: C28H24N4S MolecularWeight: 448.58196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C3=C4C(=CC(=C3)CC5=CC=NC=C5)C=CC=N4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C3=C4C(=CC(=C3)CC5=CC=NC=C5)C=CC=N4)C

InChI

InChI=1S/C28H24N4S/c1-19-13-20(2)32-28(31-19)33-18-22-5-3-6-24(15-22)26-17-23(14-21-8-11-29-12-9-21)16-25-7-4-10-30-27(25)26/h3-13,15-17H,14,18H2,1-2H3