2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-pyridin-3-yl-ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(3-pyridyl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-pyridin-3-ylacetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(3-pyridyl)acetamide Formula: C14H13BrN2OS MolecularWeight: 337.23482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C14H13BrN2OS/c1-10-7-11(15)4-5-13(10)19-9-14(18)17-12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18)