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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(3-phthalimidopropylthio)-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C23H18N4O3S MolecularWeight: 430.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C23H18N4O3S/c1-14-7-9-15(10-8-14)19-18(13-24)20(28)26-23(25-19)31-12-4-11-27-21(29)16-5-2-3-6-17(16)22(27)30/h2-3,5-10H,4,11-12H2,1H3,(H,25,26,28)