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

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H13BrN4O2S MolecularWeight: 393.25832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)C3=CC=C(O3)Br

InChI

InChI=1S/C15H13BrN4O2S/c16-12-7-6-11(22-12)14-18-19-15(23-9-13(17)21)20(14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,17,21)