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

Systemtic Name: 1-(4-bromophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C13H14BrN3OS MolecularWeight: 340.23876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NN=C(N1C)SC(C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3OS/c1-8(19-13-16-15-9(2)17(13)3)12(18)10-4-6-11(14)7-5-10/h4-8H,1-3H3