N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H21FN2O6S MolecularWeight: 424.443243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H21FN2O6S/c1-26-15-10-13(16(22(24)25)18(28-3)17(15)27-2)19(23)21-8-9-29-11-12-6-4-5-7-14(12)20/h4-7,10H,8-9,11H2,1-3H3,(H,21,23)