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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4O3S/c1-12-16(9-13-5-3-2-4-6-13)23-19(21-12)28-11-18(25)22-14-7-8-15(20)17(10-14)24(26)27/h2-8,10H,9,11H2,1H3,(H,21,23)(H,22,25)