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

Systemtic Name: N-[3-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylpropyl]-3-nitro-benzamide Openeye Name: N-[3-(1-isopropyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-nitro-benzamide CAS Name: N-[3-[(4,5-diphenyl-1-propan-2-yl-2-imidazolyl)thio]propyl]-3-nitrobenzamide IUPAC Name: N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-3-nitrobenzamide Traditional Name: N-[3-[(1-isopropyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3-nitro-benzamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(N=C1SCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=C(N=C1SCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

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