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

Systemtic Name: 2-[2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]ethyl]isoindoline-1,3-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c25-19(24-11-10-18(22-24)15-6-2-1-3-7-15)14-28-13-12-23-20(26)16-8-4-5-9-17(16)21(23)27/h1-9H,10-14H2