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

Systemtic Name: N-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-nitro-benzamide Openeye Name: N-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-nitro-benzamide CAS Name: N-[3-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-3-nitrobenzamide IUPAC Name: N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-nitrobenzamide Traditional Name: N-[3-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3-nitro-benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3S/c1-2-30-25(21-13-7-4-8-14-21)24(20-11-5-3-6-12-20)29-27(30)35-18-10-17-28-26(32)22-15-9-16-23(19-22)31(33)34/h3-9,11-16,19H,2,10,17-18H2,1H3,(H,28,32)