(3,4-dimethylphenyl) 2-(1,4-diphenylimidazol-2-yl)sulfanylethanoate

Systemtic Name: (3,4-dimethylphenyl) 2-(1,4-diphenylimidazol-2-yl)sulfanylethanoate Openeye Name: (3,4-dimethylphenyl) 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1,4-diphenyl-2-imidazolyl)thio]acetic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1,4-diphenylimidazol-2-yl)thio]acetic acid (3,4-dimethylphenyl) ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O2S/c1-18-13-14-22(15-19(18)2)29-24(28)17-30-25-26-23(20-9-5-3-6-10-20)16-27(25)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3