2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methylsulfanyl-butanamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(methylthio)-2-phthalimido-butyramide Formula: C27H22N6O3S MolecularWeight: 510.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N6O3S/c1-16-13-23(30-21-10-6-5-7-18(16)21)33-24(17(14-28)15-29-33)31-25(34)22(11-12-37-2)32-26(35)19-8-3-4-9-20(19)27(32)36/h3-10,13,15,22H,11-12H2,1-2H3,(H,31,34)