2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]pent-4-enoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]pent-4-enoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]pent-4-enoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methyl]-4-pentenoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methyl]pent-4-enoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]methyl]pent-4-enoic acid Formula: C19H23ClN2O2S MolecularWeight: 378.91612

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(CC=C)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(CC=C)C(=O)O

InChI

InChI=1S/C19H23ClN2O2S/c1-3-7-14(18(23)24)11-16-12-21-19(25-10-4-2)22(16)13-15-8-5-6-9-17(15)20/h3,5-6,8-9,12,14H,1,4,7,10-11,13H2,2H3,(H,23,24)