1-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[3-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-(4-nitrophenyl)urea CAS Name: 1-[3-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[3-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3-(4-nitrophenyl)urea Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O3S/c1-2-31-25(21-12-7-4-8-13-21)24(20-10-5-3-6-11-20)30-27(31)36-19-9-18-28-26(33)29-22-14-16-23(17-15-22)32(34)35/h3-8,10-17H,2,9,18-19H2,1H3,(H2,28,29,33)