2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(3-pyridylmethyl)acetamide Formula: C16H17BrN2OS MolecularWeight: 365.28798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C16H17BrN2OS/c1-11-7-15(12(2)6-14(11)17)21-10-16(20)19-9-13-4-3-5-18-8-13/h3-8H,9-10H2,1-2H3,(H,19,20)