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

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(5-bromo-2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(5-bromofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(5-bromo-2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C17H16BrN5O4S MolecularWeight: 466.30904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(O3)Br

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(O3)Br

InChI

InChI=1S/C17H16BrN5O4S/c1-10(2)22-16(13-6-7-14(18)27-13)20-21-17(22)28-9-15(24)19-11-4-3-5-12(8-11)23(25)26/h3-8,10H,9H2,1-2H3,(H,19,24)