N-(2-tert-butylsulfanylethyl)-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-chloro-3-nitro-benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-chloro-3-nitro-benzamide Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3S/c1-13(2,3)20-7-6-15-12(17)9-4-5-10(14)11(8-9)16(18)19/h4-5,8H,6-7H2,1-3H3,(H,15,17)