1,3-bis[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]-5-phenethyl-imidazolidine-2,4-dione

Systemtic Name: 1,3-bis[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: 1,3-bis[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: 1,3-bis[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: 1,3-bis[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-phenethylimidazolidine-2,4-dione Traditional Name: 1,3-bis[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-5-phenethyl-hydantoin Formula: C37H32N6O4S4 MolecularWeight: 752.94778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C(C(=O)N(C3=O)CC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=CS6)CCC7=CC=CC=C7)C8=CC=CS8

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C(C(=O)N(C3=O)CC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=CS6)CCC7=CC=CC=C7)C8=CC=CS8

InChI

InChI=1S/C37H32N6O4S4/c44-34(42-28(32-12-6-18-50-32)20-25(38-42)30-10-4-16-48-30)22-40-27(15-14-24-8-2-1-3-9-24)36(46)41(37(40)47)23-35(45)43-29(33-13-7-19-51-33)21-26(39-43)31-11-5-17-49-31/h1-13,16-19,27-29H,14-15,20-23H2