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

Systemtic Name: methyl 2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)imidazol-4-yl]ethanoate Openeye Name: methyl 2-[3-[(2-chlorophenyl)methyl]-2-(2-thioxopropyl)imidazol-4-yl]acetate CAS Name: 2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)-4-imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(2-chlorophenyl)methyl]-2-(2-sulfanylidenepropyl)imidazol-4-yl]acetate Traditional Name: 2-[3-(2-chlorobenzyl)-2-(2-thioxopropyl)imidazol-4-yl]acetic acid methyl ester Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2S/c1-11(22)7-15-18-9-13(8-16(20)21-2)19(15)10-12-5-3-4-6-14(12)17/h3-6,9H,7-8,10H2,1-2H3