N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoline-8-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoline-8-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoline-8-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-8-quinolinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoline-8-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]quinoline-8-carboxamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C22H18N4OS/c1-14-13-15(2)25-22(24-14)28-18-10-8-17(9-11-18)26-21(27)19-7-3-5-16-6-4-12-23-20(16)19/h3-13H,1-2H3,(H,26,27)