2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromanyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromanyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C14H11BrN6O4S MolecularWeight: 439.24394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=COC(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H11BrN6O4S/c15-9-6-8(21(23)24)3-4-10(9)17-12(22)7-26-14-19-18-13(20(14)16)11-2-1-5-25-11/h1-6H,7,16H2,(H,17,22)