1-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl ethanoate

Systemtic Name: 1-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl ethanoate Openeye Name: 1-[1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]ethyl acetate CAS Name: acetic acid 1-[1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]ethyl ester IUPAC Name: 1-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl acetate Traditional Name: acetic acid 1-[1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1C(C)OC(=O)C)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(N=C1C(C)OC(=O)C)C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-6-20-17(12(4)25-13(5)22)19-16(11(2)3)18(20)26-15-9-7-8-14(10-15)21(23)24/h7-12H,6H2,1-5H3