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

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=C(O4)Br

InChI

InChI=1S/C21H17BrN4O2S/c22-18-12-11-17(28-18)20-24-25-21(26(20)13-15-7-3-1-4-8-15)29-14-19(27)23-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,27)