2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]isoindoline-1,3-quinone Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H15N3O2S/c26-21-17-9-4-5-10-18(17)22(27)24(21)13-15-14-25(16-7-2-1-3-8-16)23-20(15)19-11-6-12-28-19/h1-12,14H,13H2