2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O5S/c1-14(21(28)23-17-13-16(27(29)30)10-11-18(17)31-2)33-22-25-24-20(19-9-6-12-32-19)26(22)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,28)