3-(2,6-diethylphenyl)-2-(phenylmethylsulfanyl)imidazole-4-carboxylic acid

Systemtic Name: 3-(2,6-diethylphenyl)-2-(phenylmethylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 2-benzylsulfanyl-3-(2,6-diethylphenyl)imidazole-4-carboxylic acid CAS Name: 3-(2,6-diethylphenyl)-2-(phenylmethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-benzylsulfanyl-3-(2,6-diethylphenyl)imidazole-4-carboxylic acid Traditional Name: 2-(benzylthio)-3-(2,6-diethylphenyl)imidazole-4-carboxylic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CN=C2SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CN=C2SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-3-16-11-8-12-17(4-2)19(16)23-18(20(24)25)13-22-21(23)26-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3,(H,24,25)