2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]pent-4-enoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]pent-4-enoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]pent-4-enoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-2H-imidazol-1-yl]methyl]-4-pentenoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]pent-4-enoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)-4-imidazolin-1-yl]methyl]pent-4-enoic acid Formula: C19H25ClN2O2S MolecularWeight: 380.932

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1N(C=CN1CC(CC=C)C(=O)O)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCSC1N(C=CN1CC(CC=C)C(=O)O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C19H25ClN2O2S/c1-3-7-16(18(23)24)14-22-11-10-21(19(22)25-12-4-2)13-15-8-5-6-9-17(15)20/h3,5-6,8-11,16,19H,1,4,7,12-14H2,2H3,(H,23,24)