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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C11H12BrN5OS MolecularWeight: 342.21488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H12BrN5OS/c1-6-4-7(12)2-3-8(6)14-9(18)5-19-11-15-10(13)16-17-11/h2-4H,5H2,1H3,(H,14,18)(H3,13,15,16,17)