3-(2-chlorophenyl)-2-(1H-imidazol-5-yl)-2-propylsulfanyl-propanoic acid

Systemtic Name: 3-(2-chlorophenyl)-2-(1H-imidazol-5-yl)-2-propylsulfanyl-propanoic acid Openeye Name: 3-(2-chlorophenyl)-2-(1H-imidazol-5-yl)-2-propylsulfanyl-propanoic acid CAS Name: 3-(2-chlorophenyl)-2-(1H-imidazol-5-yl)-2-(propylthio)propanoic acid IUPAC Name: 3-(2-chlorophenyl)-2-(1H-imidazol-5-yl)-2-propylsulfanylpropanoic acid Traditional Name: 3-(2-chlorophenyl)-2-(1H-imidazol-5-yl)-2-(propylthio)propionic acid Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC1=CC=CC=C1Cl)(C2=CN=CN2)C(=O)O

Isomeric SMILES

CCCSC(CC1=CC=CC=C1Cl)(C2=CN=CN2)C(=O)O

InChI

InChI=1S/C15H17ClN2O2S/c1-2-7-21-15(14(19)20,13-9-17-10-18-13)8-11-5-3-4-6-12(11)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18)(H,19,20)