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

Systemtic Name: 2-chloranyl-N-[3-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanylpropyl]-4-nitro-benzamide Openeye Name: N-[3-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-N-[3-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]propyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylpropyl]-4-nitrobenzamide Traditional Name: N-[3-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-2-chloro-4-nitro-benzamide Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(N=C1SCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=C(N=C1SCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25ClN4O3S/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)23-15-14-22(33(35)36)19-24(23)29/h2-8,10-15,19H,1,9,16-18H2,(H,30,34)