2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C14H17FN6O3S MolecularWeight: 368.386583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=NN2C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=NN2C(C)(C)C

InChI

InChI=1S/C14H17FN6O3S/c1-8(25-13-17-18-19-20(13)14(2,3)4)12(22)16-9-5-6-10(15)11(7-9)21(23)24/h5-8H,1-4H3,(H,16,22)