N-(2-tert-butylsulfanylethyl)-3-nitro-benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-3-nitro-benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-3-nitro-benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-3-nitrobenzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-3-nitrobenzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-3-nitro-benzamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-13(2,3)19-8-7-14-12(16)10-5-4-6-11(9-10)15(17)18/h4-6,9H,7-8H2,1-3H3,(H,14,16)