(2R)-N-(4-fluoranyl-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(4-fluoranyl-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2R)-N-(4-fluoro-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2R)-N-(4-fluoro-3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2R)-N-(4-fluoro-3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2R)-N-(4-fluoro-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C11H10FN5O3S MolecularWeight: 311.292203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C11H10FN5O3S/c1-6(21-11-13-5-14-16-11)10(18)15-7-2-3-8(12)9(4-7)17(19)20/h2-6H,1H3,(H,15,18)(H,13,14,16)/t6-/m1/s1