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

Systemtic Name: N-(4-bromophenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C19H20BrN5OS/c1-13(2)11-25-18(14-7-9-21-10-8-14)23-24-19(25)27-12-17(26)22-16-5-3-15(20)4-6-16/h3-10,13H,11-12H2,1-2H3,(H,22,26)