4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-N-phenyl-benzamide Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H19N3OS/c1-15-12-16(2)24-22(20(15)13-23)27-14-17-8-10-18(11-9-17)21(26)25-19-6-4-3-5-7-19/h3-12H,14H2,1-2H3,(H,25,26)