3-(phenylmethyl)-2-(phenylmethylsulfanyl)imidazole-4-carboxylic acid

Systemtic Name: 3-(phenylmethyl)-2-(phenylmethylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 3-benzyl-2-benzylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-(phenylmethyl)-2-(phenylmethylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-benzyl-2-benzylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-benzyl-2-(benzylthio)imidazole-4-carboxylic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CN=C2SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CN=C2SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O2S/c21-17(22)16-11-19-18(23-13-15-9-5-2-6-10-15)20(16)12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,21,22)