N-(4-bromanyl-3-methyl-phenyl)-2-(cyanomethylsulfanyl)benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(cyanomethylsulfanyl)benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(cyanomethylsulfanyl)benzamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(cyanomethylthio)benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(cyanomethylsulfanyl)benzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(cyanomethylthio)benzamide Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC#N)Br

InChI

InChI=1S/C16H13BrN2OS/c1-11-10-12(6-7-14(11)17)19-16(20)13-4-2-3-5-15(13)21-9-8-18/h2-7,10H,9H2,1H3,(H,19,20)