2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanedioate

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanedioate Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanedioate CAS Name: 2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]propanedioate IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanedioate Traditional Name: 2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]malonate Formula: C16H15ClN2O4S-2 MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O4S/c1-2-7-24-16-18-8-12(13(14(20)21)15(22)23)19(16)9-10-5-3-4-6-11(10)17/h3-6,8,13H,2,7,9H2,1H3,(H,20,21)(H,22,23)/p-2