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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C16H16FN5O3S MolecularWeight: 377.393343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C16H16FN5O3S/c17-12-6-5-11(22(24)25)7-13(12)18-14(23)8-26-16-20-19-15(9-1-2-9)21(16)10-3-4-10/h5-7,9-10H,1-4,8H2,(H,18,23)