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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitro-benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-methyl-3-nitro-benzamide Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3S/c1-10-5-6-11(9-12(10)16(18)19)13(17)15-7-8-20-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,15,17)