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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=C(OC=C3)C

InChI

InChI=1S/C17H17N5O4S/c1-3-21-16(14-8-9-26-11(14)2)19-20-17(21)27-10-15(23)18-12-4-6-13(7-5-12)22(24)25/h4-9H,3,10H2,1-2H3,(H,18,23)