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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3OS/c1-9-15-13(17-16-9)19-8-2-3-12(18)10-4-6-11(14)7-5-10/h4-7H,2-3,8H2,1H3,(H,15,16,17)