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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C18H16FN5O3S MolecularWeight: 401.414743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5O3S/c1-2-23-17(12-6-4-3-5-7-12)21-22-18(23)28-11-16(25)20-13-8-9-14(19)15(10-13)24(26)27/h3-10H,2,11H2,1H3,(H,20,25)