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

Systemtic Name: 4-chloranyl-N-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]propyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]propyl]-3-nitro-benzamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O3S/c1-2-17-32-26(21-12-7-4-8-13-21)25(20-10-5-3-6-11-20)31-28(32)37-18-9-16-30-27(34)22-14-15-23(29)24(19-22)33(35)36/h3-8,10-15,19H,2,9,16-18H2,1H3,(H,30,34)