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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C16H18FN5O3S MolecularWeight: 379.409223

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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-])C3CC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C16H18FN5O3S/c1-3-21-14(10-4-5-10)19-20-16(21)26-9(2)15(23)18-11-6-7-12(17)13(8-11)22(24)25/h6-10H,3-5H2,1-2H3,(H,18,23)