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

Systemtic Name: N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide Openeye Name: N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide CAS Name: N-[4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]butyl]-3-nitrobenzamide IUPAC Name: N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3-nitrobenzamide Traditional Name: N-[4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]-3-nitro-benzamide Formula: C28H28N4O3S MolecularWeight: 500.61192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28N4O3S/c1-2-31-26(22-14-7-4-8-15-22)25(21-12-5-3-6-13-21)30-28(31)36-19-10-9-18-29-27(33)23-16-11-17-24(20-23)32(34)35/h3-8,11-17,20H,2,9-10,18-19H2,1H3,(H,29,33)