[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] 3,5-diphenyl-1,3-dihydropyrazole-2-carboximidothioate

Systemtic Name: [1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] 3,5-diphenyl-1,3-dihydropyrazole-2-carboximidothioate Openeye Name: [1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl] 3,5-diphenyl-1,3-dihydropyrazole-2-carboximidothioate CAS Name: 3,5-diphenyl-1,3-dihydropyrazole-2-carboximidothioic acid [1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3,5-diphenyl-1,3-dihydropyrazole-2-carboximidothioate Traditional Name: 3,5-diphenyl-3-pyrazoline-1-carboximidothioic acid [1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl] ester Formula: C26H21BrN4O2S MolecularWeight: 533.43954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=N)N3C(C=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=N)N3C(C=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21BrN4O2S/c27-19-11-13-20(14-12-19)30-24(32)16-23(25(30)33)34-26(28)31-22(18-9-5-2-6-10-18)15-21(29-31)17-7-3-1-4-8-17/h1-15,22-23,28-29H,16H2