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

Systemtic Name: 3-nitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Openeye Name: 3-nitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide CAS Name: 3-nitro-N-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]benzamide IUPAC Name: 3-nitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Traditional Name: 3-nitro-N-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]benzamide Formula: C32H28N4O3S MolecularWeight: 548.65472

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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-])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-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28N4O3S/c37-31(26-17-12-20-28(23-26)36(38)39)33-21-10-11-22-40-32-34-29(24-13-4-1-5-14-24)30(25-15-6-2-7-16-25)35(32)27-18-8-3-9-19-27/h1-9,12-20,23H,10-11,21-22H2,(H,33,37)