2-chloranyl-4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide CAS Name: 2-chloro-4-nitro-N-[3-[(1,4,5-triphenyl-2-imidazolyl)thio]propyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide Traditional Name: 2-chloro-4-nitro-N-[3-[(1,4,5-triphenylimidazol-2-yl)thio]propyl]benzamide Formula: C31H25ClN4O3S MolecularWeight: 569.0732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25ClN4O3S/c32-27-21-25(36(38)39)17-18-26(27)30(37)33-19-10-20-40-31-34-28(22-11-4-1-5-12-22)29(23-13-6-2-7-14-23)35(31)24-15-8-3-9-16-24/h1-9,11-18,21H,10,19-20H2,(H,33,37)