N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-1,3-bis(oxidanylidene)-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-dioxo-2-thiazol-2-yl-isoindoline-5-carboxamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-1,3-dioxo-2-(2-thiazolyl)-5-isoindolecarboxamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-1,3-diketo-2-thiazol-2-yl-isoindoline-5-carboxamide Formula: C25H13N7O3S MolecularWeight: 491.48082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=NC=CS6

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=NC=CS6

InChI

InChI=1S/C25H13N7O3S/c26-12-16-13-28-32(20-8-6-14-3-1-2-4-19(14)29-20)21(16)30-22(33)15-5-7-17-18(11-15)24(35)31(23(17)34)25-27-9-10-36-25/h1-11,13H,(H,30,33)