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

Systemtic Name: N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]butyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]-3,5-dinitro-benzamide Formula: C28H27N5O5S MolecularWeight: 545.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O5S/c1-2-31-26(21-13-7-4-8-14-21)25(20-11-5-3-6-12-20)30-28(31)39-16-10-9-15-29-27(34)22-17-23(32(35)36)19-24(18-22)33(37)38/h3-8,11-14,17-19H,2,9-10,15-16H2,1H3,(H,29,34)