methyl 3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-benzyl-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-benzyl-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 249.294289

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CNC(=S)[15N]1CC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-16-11(15)10-7-13-12(17)14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,17)/i14+1