methyl 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoate

Systemtic Name: methyl 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoate Openeye Name: methyl 3-[1-(2-thioxo-1H-imidazol-3-yl)ethyl]benzoate CAS Name: 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-(2-sulfanylidene-1H-imidazol-3-yl)ethyl]benzoate Traditional Name: 3-[1-(2-thioxo-4-imidazolin-1-yl)ethyl]benzoic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)OC)N2C=CNC2=S

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)OC)N2C=CNC2=S

InChI

InChI=1S/C13H14N2O2S/c1-9(15-7-6-14-13(15)18)10-4-3-5-11(8-10)12(16)17-2/h3-9H,1-2H3,(H,14,18)