N-(4-bromanyl-3-methyl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H21BrN4OS/c1-3-4-5-8-21-11-18-20-16(21)23-10-15(22)19-13-6-7-14(17)12(2)9-13/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22)