2-chloroethyl 4-(2-sulfanylidene-1H-imidazol-3-yl)benzoate

Systemtic Name: 2-chloroethyl 4-(2-sulfanylidene-1H-imidazol-3-yl)benzoate Openeye Name: 2-chloroethyl 4-(2-thioxo-1H-imidazol-3-yl)benzoate CAS Name: 4-(2-sulfanylidene-1H-imidazol-3-yl)benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-(2-sulfanylidene-1H-imidazol-3-yl)benzoate Traditional Name: 4-(2-thioxo-4-imidazolin-1-yl)benzoic acid 2-chloroethyl ester Formula: C12H11ClN2O2S MolecularWeight: 282.74594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCl)N2C=CNC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCl)N2C=CNC2=S

InChI

InChI=1S/C12H11ClN2O2S/c13-5-8-17-11(16)9-1-3-10(4-2-9)15-7-6-14-12(15)18/h1-4,6-7H,5,8H2,(H,14,18)