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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrN3OS/c1-8(2)12-15-13(17-16-12)19-7-11(18)9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,16,17)