N-[3-(2-hydroxyethylsulfanyl)propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(2-hydroxyethylsulfanyl)propyl]-4-nitro-benzamide Openeye Name: N-[3-(2-hydroxyethylsulfanyl)propyl]-4-nitro-benzamide CAS Name: N-[3-(2-hydroxyethylthio)propyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-hydroxyethylsulfanyl)propyl]-4-nitrobenzamide Traditional Name: N-[3-(2-hydroxyethylthio)propyl]-4-nitro-benzamide Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCSCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCSCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c15-7-9-19-8-1-6-13-12(16)10-2-4-11(5-3-10)14(17)18/h2-5,15H,1,6-9H2,(H,13,16)