2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitro-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitro-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxy-4-nitro-phenyl)acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-hydroxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxy-4-nitrophenyl)acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-hydroxy-4-nitro-phenyl)acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-2-22-17(12-6-4-3-5-7-12)20-21-18(22)28-11-16(25)19-14-9-8-13(23(26)27)10-15(14)24/h3-10,24H,2,11H2,1H3,(H,19,25)