2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C21H16BrN3O2S/c22-19-12-11-18(27-19)20-23-24-21(25(20)13-15-7-3-1-4-8-15)28-14-17(26)16-9-5-2-6-10-16/h1-12H,13-14H2