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

Systemtic Name: N-(4-bromanylpyridin-2-yl)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-pyridyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-pyridinyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromopyridin-2-yl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-pyridyl)acetamide Formula: C21H15Br2N5OS MolecularWeight: 545.2497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CC(=C3)Br)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CC(=C3)Br)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15Br2N5OS/c22-15-8-6-14(7-9-15)20-26-27-21(28(20)17-4-2-1-3-5-17)30-13-19(29)25-18-12-16(23)10-11-24-18/h1-12H,13H2,(H,24,25,29)