N-(4-bromanyl-2-methyl-phenyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C18H18BrN3OS/c1-10-7-14(19)5-6-16(10)22-17(23)9-24-18-15(8-20)12(3)11(2)13(4)21-18/h5-7H,9H2,1-4H3,(H,22,23)