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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C19H19BrN4OS/c1-13(2)11-24-18(15-7-9-21-10-8-15)22-23-19(24)26-12-17(25)14-3-5-16(20)6-4-14/h3-10,13H,11-12H2,1-2H3