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

Systemtic Name: 2-[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl ethanoate Openeye Name: 2-[4-isopropyl-5-phenylsulfanyl-1-(2-pyridylmethyl)imidazol-2-yl]ethyl acetate CAS Name: acetic acid 2-[5-(phenylthio)-4-propan-2-yl-1-(2-pyridinylmethyl)-2-imidazolyl]ethyl ester IUPAC Name: 2-[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl acetate Traditional Name: acetic acid 2-[4-isopropyl-5-(phenylthio)-1-(2-pyridylmethyl)imidazol-2-yl]ethyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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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

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCOC(=O)C)CC2=CC=CC=N2)SC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-16(2)21-22(28-19-10-5-4-6-11-19)25(15-18-9-7-8-13-23-18)20(24-21)12-14-27-17(3)26/h4-11,13,16H,12,14-15H2,1-3H3