4-(4-fluorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-3-nitro-benzamide CAS Name: 4-[(4-fluorophenyl)thio]-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(3-methylolphenyl)-3-nitro-benzamide Formula: C20H15FN2O4S MolecularWeight: 398.407503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O4S/c21-15-5-7-17(8-6-15)28-19-9-4-14(11-18(19)23(26)27)20(25)22-16-3-1-2-13(10-16)12-24/h1-11,24H,12H2,(H,22,25)