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

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C17H19FN6O4S MolecularWeight: 422.433963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C17H19FN6O4S/c18-13-4-1-11(9-14(13)24(26)27)19-15(25)10-29-17-21-20-16(23(17)12-2-3-12)22-5-7-28-8-6-22/h1,4,9,12H,2-3,5-8,10H2,(H,19,25)