N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C17H17F2N3O4S MolecularWeight: 397.396386

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C17H17F2N3O4S/c1-26-9-8-20-15-7-4-12(22(24)25)10-14(15)16(23)21-11-2-5-13(6-3-11)27-17(18)19/h2-7,10,17,20H,8-9H2,1H3,(H,21,23)