2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(4-phthalimidobutylthio)-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C24H20N4O3S/c1-15-8-10-16(11-9-15)20-19(14-25)21(29)27-24(26-20)32-13-5-4-12-28-22(30)17-6-2-3-7-18(17)23(28)31/h2-3,6-11H,4-5,12-13H2,1H3,(H,26,27,29)