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

Systemtic Name: 2-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl ethanoate Openeye Name: 2-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(2-pyridylmethyl)imidazol-2-yl]ethyl acetate CAS Name: acetic acid 2-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(2-pyridinylmethyl)-2-imidazolyl]ethyl ester IUPAC Name: 2-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl acetate Traditional Name: acetic acid 2-[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(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=C(N(C(=N1)CCOC(=O)C)CC2=CC=CC=N2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCOC(=O)C)CC2=CC=CC=N2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-15(2)21-22(31-19-9-6-8-18(13-19)26(28)29)25(14-17-7-4-5-11-23-17)20(24-21)10-12-30-16(3)27/h4-9,11,13,15H,10,12,14H2,1-3H3