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

Systemtic Name: 4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide Openeye Name: 4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide CAS Name: 4-nitro-N-[3-[(1,4,5-triphenyl-2-imidazolyl)thio]propyl]benzamide IUPAC Name: 4-nitro-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide Traditional Name: 4-nitro-N-[3-[(1,4,5-triphenylimidazol-2-yl)thio]propyl]benzamide Formula: C31H26N4O3S MolecularWeight: 534.62814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H26N4O3S/c36-30(25-17-19-27(20-18-25)35(37)38)32-21-10-22-39-31-33-28(23-11-4-1-5-12-23)29(24-13-6-2-7-14-24)34(31)26-15-8-3-9-16-26/h1-9,11-20H,10,21-22H2,(H,32,36)