2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: 2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: 3-benzyl-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-(phenylmethyl)-4-imidazolecarboxylate IUPAC Name: 3-benzyl-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-benzyl-2-(methylthio)imidazole-4-carboxylate Formula: C12H11N2O2S- MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)[O-]

InChI

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