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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C16H19FN6O3S MolecularWeight: 394.423863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C16H19FN6O3S/c1-10(15(24)18-11-7-8-13(17)14(9-11)23(25)26)27-16-19-20-21-22(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,24)