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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=C(N=CC=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=C(N=CC=C2)N3C=CC=N3

InChI

InChI=1S/C18H17BrN4OS/c1-13-10-15(19)5-6-16(13)25-12-17(24)21-11-14-4-2-7-20-18(14)23-9-3-8-22-23/h2-10H,11-12H2,1H3,(H,21,24)