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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4S/c1-15(21(28)23-17-9-5-10-18(13-17)27(29)30)32-22-25-24-20(16-7-3-2-4-8-16)26(22)14-19-11-6-12-31-19/h2-13,15H,14H2,1H3,(H,23,28)