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

Systemtic Name: 2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl ethanoate Openeye Name: 2-[1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]ethyl acetate CAS Name: acetic acid 2-[1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]ethyl ester IUPAC Name: 2-[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl acetate Traditional Name: acetic acid 2-[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(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CCOC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-5-20-16(9-10-25-13(4)22)19-17(12(2)3)18(20)26-15-8-6-7-14(11-15)21(23)24/h6-8,11-12H,5,9-10H2,1-4H3