methyl 2-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)ethanoate

Systemtic Name: methyl 2-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)ethanoate Openeye Name: methyl 2-(4-phenyl-2-thioxo-1H-imidazol-3-yl)acetate CAS Name: 2-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetate Traditional Name: 2-(5-phenyl-2-thioxo-4-imidazolin-1-yl)acetic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=CNC1=S)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C(=CNC1=S)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-16-11(15)8-14-10(7-13-12(14)17)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,17)