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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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