N-tert-butyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-tert-butyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-tert-butyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-tert-butyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-tert-butyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-tert-butyl-4-(methylthio)-3-nitro-benzamide Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-12(2,3)13-11(15)8-5-6-10(18-4)9(7-8)14(16)17/h5-7H,1-4H3,(H,13,15)