N-(4-bromanyl-3-methyl-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C13H15BrN4OS/c1-3-11-16-13(18-17-11)20-7-12(19)15-9-4-5-10(14)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,15,19)(H,16,17,18)