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

Systemtic Name: [1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] 3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate Openeye Name: [1-(4-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl] 3-(4-bromophenyl)-5-(p-tolyl)-3,4-dihydropyrazole-2-carboximidothioate CAS Name: 3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioic acid [1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate Traditional Name: 5-(4-bromophenyl)-3-(p-tolyl)-2-pyrazoline-1-carboximidothioic acid [1-(4-chlorophenyl)-2,5-diketo-pyrrolidin-3-yl] ester Formula: C27H22BrClN4O2S MolecularWeight: 581.91118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=N)SC4CC(=O)N(C4=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=N)SC4CC(=O)N(C4=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H22BrClN4O2S/c1-16-2-4-17(5-3-16)22-14-23(18-6-8-19(28)9-7-18)33(31-22)27(30)36-24-15-25(34)32(26(24)35)21-12-10-20(29)11-13-21/h2-13,23-24,30H,14-15H2,1H3