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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromophenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromophenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(3-bromophenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromophenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(3-bromophenyl)ethanone Formula: C10H9BrN4OS MolecularWeight: 313.17366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrN4OS/c11-7-3-1-2-6(4-7)8(16)5-17-10-13-9(12)14-15-10/h1-4H,5H2,(H3,12,13,14,15)