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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H16BrN3OS MolecularWeight: 354.26534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3OS/c1-9(2)7-13-16-14(18-17-13)20-8-12(19)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)