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

Systemtic Name: N-aminocarbonyl-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]-N-carbamoyl-acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C16H14BrN5O3S MolecularWeight: 436.28306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O3S/c17-12-7-6-11(25-12)14-20-21-16(26-9-13(23)19-15(18)24)22(14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H3,18,19,23,24)