2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[[1-(3,5-dimethylphenyl)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=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C19H17FN4O3S/c1-12-7-13(2)9-15(8-12)23-6-5-21-19(23)28-11-18(25)22-14-3-4-16(20)17(10-14)24(26)27/h3-10H,11H2,1-2H3,(H,22,25)