methyl 3-[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propanoate

Systemtic Name: methyl 3-[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propanoate Openeye Name: methyl 3-[4-isopropyl-5-phenylsulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]propanoate CAS Name: 3-[5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propanoate Traditional Name: 3-[4-isopropyl-5-(phenylthio)-1-(4-pyridylmethyl)imidazol-2-yl]propionic acid methyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CCC(=O)OC)CC2=CC=NC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCC(=O)OC)CC2=CC=NC=C2)SC3=CC=CC=C3

InChI

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