N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3S/c1-2-3-19-31-26(22-12-8-5-9-13-22)25(21-10-6-4-7-11-21)30-28(31)36-20-18-29-27(33)23-14-16-24(17-15-23)32(34)35/h4-17H,2-3,18-20H2,1H3,(H,29,33)