2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3-methylolphenyl)-5-nitro-benzamide Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O4S/c21-14-4-7-17(8-5-14)28-19-9-6-16(23(26)27)11-18(19)20(25)22-15-3-1-2-13(10-15)12-24/h1-11,24H,12H2,(H,22,25)