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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[(4-amino-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=NN=CN2N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=CN2N

InChI

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