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

Systemtic Name: 2-(chloromethyl)-1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazole Openeye Name: 2-(chloromethyl)-1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazole CAS Name: 2-(chloromethyl)-1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-ylimidazole IUPAC Name: 2-(chloromethyl)-1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazole Traditional Name: 2-(chloromethyl)-1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazole Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2S/c1-4-18-13(9-16)17-14(10(2)3)15(18)22-12-7-5-6-11(8-12)19(20)21/h5-8,10H,4,9H2,1-3H3