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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H12BrN5O4S MolecularWeight: 438.25588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CO3

InChI

InChI=1S/C15H12BrN5O4S/c1-20-14(12-3-2-6-25-12)18-19-15(20)26-8-13(22)17-11-5-4-9(21(23)24)7-10(11)16/h2-7H,8H2,1H3,(H,17,22)