2-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[1-(difluoromethyl)-2-benzimidazolyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H16F2N4O4S MolecularWeight: 422.405846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3N2C(F)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3N2C(F)F

InChI

InChI=1S/C18H16F2N4O4S/c1-10(16(25)21-13-9-11(24(26)27)7-8-15(13)28-2)29-18-22-12-5-3-4-6-14(12)23(18)17(19)20/h3-10,17H,1-2H3,(H,21,25)