1-(phenylmethyl)-2-(phenylmethylsulfanyl)imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-(phenylmethyl)-2-(phenylmethylsulfanyl)imidazole-4,5-dicarboxylic acid Openeye Name: 1-benzyl-2-benzylsulfanyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-(phenylmethyl)-2-(phenylmethylthio)imidazole-4,5-dicarboxylic acid IUPAC Name: 1-benzyl-2-benzylsulfanylimidazole-4,5-dicarboxylic acid Traditional Name: 1-benzyl-2-(benzylthio)imidazole-4,5-dicarboxylic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S/c22-17(23)15-16(18(24)25)21(11-13-7-3-1-4-8-13)19(20-15)26-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,22,23)(H,24,25)