N-[(4-fluoranyl-2-methoxy-phenyl)methyl]-3-(4-nitrophenyl)sulfanyl-benzamide

Systemtic Name: N-[(4-fluoranyl-2-methoxy-phenyl)methyl]-3-(4-nitrophenyl)sulfanyl-benzamide Openeye Name: N-[(4-fluoro-2-methoxy-phenyl)methyl]-3-(4-nitrophenyl)sulfanyl-benzamide CAS Name: N-[(4-fluoro-2-methoxyphenyl)methyl]-3-[(4-nitrophenyl)thio]benzamide IUPAC Name: N-[(4-fluoro-2-methoxyphenyl)methyl]-3-(4-nitrophenyl)sulfanylbenzamide Traditional Name: N-(4-fluoro-2-methoxy-benzyl)-3-[(4-nitrophenyl)thio]benzamide Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)CNC(=O)C2=CC(=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)F)CNC(=O)C2=CC(=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O4S/c1-28-20-12-16(22)6-5-15(20)13-23-21(25)14-3-2-4-19(11-14)29-18-9-7-17(8-10-18)24(26)27/h2-12H,13H2,1H3,(H,23,25)