1-ethyl-5-(3-nitrophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-yl-imidazole

Systemtic Name: 1-ethyl-5-(3-nitrophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-yl-imidazole Openeye Name: 2-(benzyloxymethyl)-1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazole CAS Name: 1-ethyl-5-[(3-nitrophenyl)thio]-2-(phenylmethoxymethyl)-4-propan-2-ylimidazole IUPAC Name: 1-ethyl-5-(3-nitrophenyl)sulfanyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazole Traditional Name: 2-(benzoxymethyl)-1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazole Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)COCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)COCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-4-24-20(15-28-14-17-9-6-5-7-10-17)23-21(16(2)3)22(24)29-19-12-8-11-18(13-19)25(26)27/h5-13,16H,4,14-15H2,1-3H3