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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromanyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromo-4-methoxy-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-bromo-4-methoxyphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromo-4-methoxyphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-bromo-4-methoxy-phenyl)acetamide Formula: C11H12BrN5O2S MolecularWeight: 358.21428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)Br

InChI

InChI=1S/C11H12BrN5O2S/c1-19-8-3-2-6(4-7(8)12)14-9(18)5-20-11-15-10(13)16-17-11/h2-4H,5H2,1H3,(H,14,18)(H3,13,15,16,17)