N-(4-fluoranyl-3-nitro-phenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C19H19FN4O4S MolecularWeight: 418.441963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C19H19FN4O4S/c1-12(18(25)21-13-7-8-14(20)17(11-13)24(26)27)29-19-22-15-5-3-4-6-16(15)23(19)9-10-28-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)