1-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H12BrN3OS MolecularWeight: 374.25498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN3OS/c17-13-8-6-12(7-9-13)15(21)10-22-16-18-11-20(19-16)14-4-2-1-3-5-14/h1-9,11H,10H2