N-(4-fluoranyl-3-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H19FN4O3S/c1-12-17(10-14-6-4-3-5-7-14)24-20(22-12)29-13(2)19(26)23-15-8-9-16(21)18(11-15)25(27)28/h3-9,11,13H,10H2,1-2H3,(H,22,24)(H,23,26)