2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-2-(2-thioxopropyl)imidazol-4-yl]acetic acid CAS Name: 2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)-4-imidazolyl]acetic acid IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)imidazol-4-yl]acetic acid Traditional Name: 2-[3-(2-chlorobenzyl)-2-(2-thioxopropyl)imidazol-4-yl]acetic acid Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)O

Isomeric SMILES

CC(=S)CC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)O

InChI

InChI=1S/C15H15ClN2O2S/c1-10(21)6-14-17-8-12(7-15(19)20)18(14)9-11-4-2-3-5-13(11)16/h2-5,8H,6-7,9H2,1H3,(H,19,20)