1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C12H12BrN3OS MolecularWeight: 326.21218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NC(=NN1)SC(C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3OS/c1-7(18-12-14-8(2)15-16-12)11(17)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,16)