2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridyl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[6-(1-pyrazolyl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-pyrazol-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(6-pyrazol-1-yl-3-pyridyl)acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H15BrN4OS/c1-12-9-13(18)3-5-15(12)24-11-17(23)21-14-4-6-16(19-10-14)22-8-2-7-20-22/h2-10H,11H2,1H3,(H,21,23)