3,5-dinitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide

Systemtic Name: 3,5-dinitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Openeye Name: 3,5-dinitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide CAS Name: 3,5-dinitro-N-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]benzamide IUPAC Name: 3,5-dinitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Traditional Name: 3,5-dinitro-N-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]benzamide Formula: C32H27N5O5S MolecularWeight: 593.65228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H27N5O5S/c38-31(25-20-27(36(39)40)22-28(21-25)37(41)42)33-18-10-11-19-43-32-34-29(23-12-4-1-5-13-23)30(24-14-6-2-7-15-24)35(32)26-16-8-3-9-17-26/h1-9,12-17,20-22H,10-11,18-19H2,(H,33,38)