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

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-2-chloro-4-nitro-benzamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-2-chloro-4-nitro-benzamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O3S/c1-2-3-17-32-26(21-12-8-5-9-13-21)25(20-10-6-4-7-11-20)31-28(32)37-18-16-30-27(34)23-15-14-22(33(35)36)19-24(23)29/h4-15,19H,2-3,16-18H2,1H3,(H,30,34)