2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromanylthiophen-2-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromanylthiophen-2-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromo-2-thienyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(5-bromo-2-thiophenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(5-bromo-2-thienyl)ethanone Formula: C8H7BrN4OS2 MolecularWeight: 319.20138

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=C(SC(=C1)Br)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C8H7BrN4OS2/c9-6-2-1-5(16-6)4(14)3-15-8-11-7(10)12-13-8/h1-2H,3H2,(H3,10,11,12,13)