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

Systemtic Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H17N5O4S/c1-2-21-16(14-8-5-10-26-14)19-20-17(21)27-11-9-15(23)18-12-6-3-4-7-13(12)22(24)25/h3-8,10H,2,9,11H2,1H3,(H,18,23)