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

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-4-nitrobenzamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-4-nitrobenzamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-4-nitro-benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-2-3-20-32-27(23-13-8-5-9-14-23)26(22-11-6-4-7-12-22)31-29(32)37-21-10-19-30-28(34)24-15-17-25(18-16-24)33(35)36/h4-9,11-18H,2-3,10,19-21H2,1H3,(H,30,34)