N-(4-bromanyl-3-methyl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(4-pyridylmethylsulfanyl)benzamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylthio)benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(4-pyridylmethylthio)benzamide Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC3=CC=NC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC3=CC=NC=C3)Br

InChI

InChI=1S/C20H17BrN2OS/c1-14-12-16(6-7-18(14)21)23-20(24)17-4-2-3-5-19(17)25-13-15-8-10-22-11-9-15/h2-12H,13H2,1H3,(H,23,24)