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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C19H18FN5O3S MolecularWeight: 415.441323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H18FN5O3S/c1-3-24-17(13-7-5-4-6-8-13)22-23-19(24)29-12(2)18(26)21-14-9-10-15(20)16(11-14)25(27)28/h4-12H,3H2,1-2H3,(H,21,26)