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

Systemtic Name: 2-(2-azidoethyl)-1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazole Openeye Name: 2-(2-azidoethyl)-1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazole CAS Name: 2-(2-azidoethyl)-1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-ylimidazole IUPAC Name: 2-(2-azidoethyl)-1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazole Traditional Name: 2-(2-azidoethyl)-1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazole Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2S/c1-4-21-14(8-9-18-20-17)19-15(11(2)3)16(21)25-13-7-5-6-12(10-13)22(23)24/h5-7,10-11H,4,8-9H2,1-3H3