2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H14BrN3O2S MolecularWeight: 428.30236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C19H14BrN3O2S/c1-23-18(17-10-13-9-14(20)7-8-16(13)25-17)21-22-19(23)26-11-15(24)12-5-3-2-4-6-12/h2-10H,11H2,1H3