2-[3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]propyl]isoindoline-1,3-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S/c26-20(25-13-11-19(23-25)16-7-2-1-3-8-16)15-29-14-6-12-24-21(27)17-9-4-5-10-18(17)22(24)28/h1-5,7-10H,6,11-15H2