N-[3-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanylpropyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanylpropyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3,5-dinitro-benzamide CAS Name: N-[3-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]propyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylpropyl]-3,5-dinitrobenzamide Traditional Name: N-[3-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3,5-dinitro-benzamide Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(N=C1SCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=C(N=C1SCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N5O5S/c1-2-15-31-26(21-12-7-4-8-13-21)25(20-10-5-3-6-11-20)30-28(31)39-16-9-14-29-27(34)22-17-23(32(35)36)19-24(18-22)33(37)38/h2-8,10-13,17-19H,1,9,14-16H2,(H,29,34)