2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: 2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butyramide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H19N5O4S/c1-2-19(21(28)23-15-10-12-17(13-11-15)27(29)30)32-22-25-24-20(18-9-6-14-31-18)26(22)16-7-4-3-5-8-16/h3-14,19H,2H2,1H3,(H,23,28)