2-(4-tert-butylphenyl)sulfanyl-4,6-dinitro-benzamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-4,6-dinitro-benzamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-4,6-dinitro-benzamide CAS Name: 2-[(4-tert-butylphenyl)thio]-4,6-dinitrobenzamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-4,6-dinitrobenzamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-4,6-dinitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-17(2,3)10-4-6-12(7-5-10)26-14-9-11(19(22)23)8-13(20(24)25)15(14)16(18)21/h4-9H,1-3H3,(H2,18,21)