S-quinolin-8-yl 2-(1,4-diphenylimidazol-2-yl)sulfanylethanethioate

Systemtic Name: S-quinolin-8-yl 2-(1,4-diphenylimidazol-2-yl)sulfanylethanethioate Openeye Name: S-(8-quinolyl) 2-(1,4-diphenylimidazol-2-yl)sulfanylethanethioate CAS Name: 2-[(1,4-diphenyl-2-imidazolyl)thio]ethanethioic acid S-(8-quinolinyl) ester IUPAC Name: S-quinolin-8-yl 2-(1,4-diphenylimidazol-2-yl)sulfanylethanethioate Traditional Name: 2-[(1,4-diphenylimidazol-2-yl)thio]ethanethioic acid S-(8-quinolyl) ester Formula: C26H19N3OS2 MolecularWeight: 453.57856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3OS2/c30-24(32-23-15-7-11-20-12-8-16-27-25(20)23)18-31-26-28-22(19-9-3-1-4-10-19)17-29(26)21-13-5-2-6-14-21/h1-17H,18H2