1-[3-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-bromophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]ethanone Formula: C11H10BrN3OS MolecularWeight: 312.1856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Br)SC

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C11H10BrN3OS/c1-7(16)15-11(17-2)13-10(14-15)8-3-5-9(12)6-4-8/h3-6H,1-2H3