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

Systemtic Name: 1-[2-(3-nitrophenyl)sulfanyl-4-propan-2-yl-5-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl ethanoate Openeye Name: 1-[4-isopropyl-2-(3-nitrophenyl)sulfanyl-5-(2-pyridylmethyl)imidazol-2-yl]ethyl acetate CAS Name: acetic acid 1-[2-[(3-nitrophenyl)thio]-4-propan-2-yl-5-(2-pyridinylmethyl)-2-imidazolyl]ethyl ester IUPAC Name: 1-[2-(3-nitrophenyl)sulfanyl-4-propan-2-yl-5-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl acetate Traditional Name: acetic acid 1-[4-isopropyl-2-[(3-nitrophenyl)thio]-5-(2-pyridylmethyl)imidazol-2-yl]ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(N=C1CC2=CC=CC=N2)(C(C)OC(=O)C)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(N=C1CC2=CC=CC=N2)(C(C)OC(=O)C)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-14(2)21-20(12-17-8-5-6-11-23-17)24-22(25-21,15(3)30-16(4)27)31-19-10-7-9-18(13-19)26(28)29/h5-11,13-15H,12H2,1-4H3