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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

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